N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide

C21H29N5O — CID 72900440

IUPACN-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(c2nccn2Cc2ccncc2)CC1
InChIInChI=1S/C21H29N5O/c27-21(24-19-4-2-1-3-5-19)25-13-8-18(9-14-25)20-23-12-15-26(20)16-17-6-10-22-11-7-17/h6-7,10-12,15,18-19H,1-5,8-9,13-14,16H2,(H,24,27)
InChIKeyFGXOMJRVKYULGU-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.55
Rot. Bonds4

About N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide

N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide (PubChem CID 72900440) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
PubChem CID72900440
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(c2nccn2Cc2ccncc2)CC1
InChIInChI=1S/C21H29N5O/c27-21(24-19-4-2-1-3-5-19)25-13-8-18(9-14-25)20-23-12-15-26(20)16-17-6-10-22-11-7-17/h6-7,10-12,15,18-19H,1-5,8-9,13-14,16H2,(H,24,27)
InChIKeyFGXOMJRVKYULGU-UHFFFAOYSA-N
XLogP3.55
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72915173
(2-methyloxolan-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72855788
3-(4-hydroxyphenyl)-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72867933
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97127492
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride
CID 154899926
[(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72876467
N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide
CID 97281199
(3,4-dimethylphenyl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72892381
(2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97276167
4-(1H-pyrazol-4-yl)-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one
CID 72938712
[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 72842076
(3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97275108

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide (CID 72900440) is N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(c2nccn2Cc2ccncc2)CC1.
What is the InChIKey of N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
The InChIKey is FGXOMJRVKYULGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c27-21(24-19-4-2-1-3-5-19)25-13-8-18(9-14-25)20-23-12-15-26(20)16-17-6-10-22-11-7-17/h6-7,10-12,15,18-19H,1-5,8-9,13-14,16H2,(H,24,27).
What are the key properties of N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 72900440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).