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Chemical ID: 3958038

c1ccc(cc1)C2(CCN(CC2)CC(=O)Nc3ccc(cc3)N4CCCC4)O

Chemical ID:

3958038

Name [?]:

2-(4-hydroxy-4-phenyl-1-piperidyl)-N-(4-pyrrolidin-1-ylphenyl)-acetamide

SMILES [?]:

c1ccc(cc1)C2(CCN(CC2)CC(=O)Nc3ccc(cc3)N4CCCC4)O

InChi [?]:

InChI=1/C23H29N3O2/c27-22(24-20-8-10-21(11-9-20)26-14-4-5-15-26)18-25-16-12-23(28,13-17-25)19-6-2-1-3-7-19/h1-3,6-11,28H,4-5,12-18H2,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,25,26,3,5,18,22,19,21,8,12,24,27,9,11,13,4,17,20,14,7,16,10,23,15,28/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:28nCCCCCCCCCNCCCCONCCCCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;s23s26;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₉N₃O₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7339
Area:	606.169
Solvation:	-4.42035
Coulombic:	-49.5326

Bond Count [?]

All:	31
Single:	24
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	379.495
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.81
LogP (Chemaxon):	2.89

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value