N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide

C19H23N5O — CID 23291192

IUPACN-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide
SMILESN#Cc1ccc(Cn2cncc2CCNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C19H23N5O/c20-10-15-3-5-16(6-4-15)13-24-14-22-12-18(24)7-9-23-19(25)17-2-1-8-21-11-17/h3-6,12,14,17,21H,1-2,7-9,11,13H2,(H,23,25)
InChIKeyYVTOIIRQGBVPLC-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.46
Rot. Bonds6

About N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide

N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide (PubChem CID 23291192) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide
PubChem CID23291192
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide
SMILESN#Cc1ccc(Cn2cncc2CCNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C19H23N5O/c20-10-15-3-5-16(6-4-15)13-24-14-22-12-18(24)7-9-23-19(25)17-2-1-8-21-11-17/h3-6,12,14,17,21H,1-2,7-9,11,13H2,(H,23,25)
InChIKeyYVTOIIRQGBVPLC-UHFFFAOYSA-N
XLogP1.46
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 67582042
(3S)-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 18665730
N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-(2-phenyl-2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 23291162
(3S)-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-naphthalen-1-ylsulfonylpiperidine-3-carboxamide
CID 69397042
(3S)-1-(3-chlorophenyl)sulfonyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide
CID 18665704
5-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethylcarbamoyl]-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 70274484
(3S)-1-[2-(4-chlorophenyl)-2-phenylethyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide
CID 18665699
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
methyl (3S,5R)-1-benzyl-5-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethylcarbamoyl]piperidine-3-carboxylate
CID 70274061
(3S)-1-[2-(2-chlorophenyl)-2-phenylethyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide
CID 18665682
4-benzyl-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperazine-2-carboxamide
CID 22958700
N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-[2-(3-methylphenyl)-2-phenylethyl]piperidine-3-carboxamide
CID 23291158

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide (CID 23291192) is N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide is N#Cc1ccc(Cn2cncc2CCNC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide?
The InChIKey is YVTOIIRQGBVPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c20-10-15-3-5-16(6-4-15)13-24-14-22-12-18(24)7-9-23-19(25)17-2-1-8-21-11-17/h3-6,12,14,17,21H,1-2,7-9,11,13H2,(H,23,25).
What are the key properties of N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide?
N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 23291192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).