3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C27H29N5O2 — CID 67585465

IUPAC3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CC1(C(N)=O)CCNCC1C(=O)Cc1cnc(Cc2ccc(C#N)cc2)[nH]1
InChIInChI=1S/C27H29N5O2/c1-18-4-2-3-5-21(18)14-27(26(29)34)10-11-30-17-23(27)24(33)13-22-16-31-25(32-22)12-19-6-8-20(15-28)9-7-19/h2-9,16,23,30H,10-14,17H2,1H3,(H2,29,34)(H,31,32)
InChIKeyGKMNWMIYHHLDDV-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.62
Rot. Bonds8

About 3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide

3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 67585465) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID67585465
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CC1(C(N)=O)CCNCC1C(=O)Cc1cnc(Cc2ccc(C#N)cc2)[nH]1
InChIInChI=1S/C27H29N5O2/c1-18-4-2-3-5-21(18)14-27(26(29)34)10-11-30-17-23(27)24(33)13-22-16-31-25(32-22)12-19-6-8-20(15-28)9-7-19/h2-9,16,23,30H,10-14,17H2,1H3,(H2,29,34)(H,31,32)
InChIKeyGKMNWMIYHHLDDV-UHFFFAOYSA-N
XLogP2.62
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-1-methyl-N-(1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-7-oxooctyl)piperidine-4-carboxamide
CID 16049824
(2S)-N-[(1S)-1-[4-cyano-2-(4-pyridin-3-ylphenyl)-1H-imidazol-5-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162647783
(S)-1-methyl-N-(1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-7-oxononyl)piperidine-4-carboxamide
CID 25110599
(S)-3-amino-1-(biphenyl-4-yl)-4-(1H-imidazol-4-yl)butan-2-one dihydrochloride
CID 44307625
(S)-N-(1-(5-(biphenyl-4-yl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylpiperidine-4-carboxamide
CID 44589633
(S)-1-methyl-N-(1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-7-oxodecyl)piperidine-4-carboxamide
CID 44589745
(S)-1-methyl-N-(1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-7-oxoundecyl)piperidine-4-carboxamide
CID 44589746
(S)-N-(1-(5-(4-cyanophenyl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylpiperidine-4-carboxamide
CID 44589670
(S)-N-(1-(5-(3-cyanophenyl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylpiperidine-4-carboxamide
CID 44589671
4-[1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-imidazol-2-yl)benzoyl]piperidin-4-yl]benzonitrile
CID 68289186
4-(1-(4-Cyclobutyl-5-(5-ethyl-1H-imidazol-2-yl)-2-methylbenzoyl)piperidin-4-yl)benzonitrile
CID 68289190
2-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylphenyl]-1H-imidazole-5-carbonitrile
CID 68289216

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 67585465) is 3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccccc1CC1(C(N)=O)CCNCC1C(=O)Cc1cnc(Cc2ccc(C#N)cc2)[nH]1.
What is the InChIKey of 3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GKMNWMIYHHLDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-18-4-2-3-5-21(18)14-27(26(29)34)10-11-30-17-23(27)24(33)13-22-16-31-25(32-22)12-19-6-8-20(15-28)9-7-19/h2-9,16,23,30H,10-14,17H2,1H3,(H2,29,34)(H,31,32).
What are the key properties of 3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl]acetyl]-4-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 67585465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).