1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide

C20H32N4O2 — CID 72914179

IUPAC1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)n1ccnc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H32N4O2/c1-15(2)24-11-10-21-18(24)12-22-20(26)17-8-9-19(25)23(14-17)13-16-6-4-3-5-7-16/h10-11,15-17H,3-9,12-14H2,1-2H3,(H,22,26)
InChIKeyASEZJNBDUVOFRL-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.90
Rot. Bonds6

About 1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide

1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 72914179) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID72914179
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)n1ccnc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H32N4O2/c1-15(2)24-11-10-21-18(24)12-22-20(26)17-8-9-19(25)23(14-17)13-16-6-4-3-5-7-16/h10-11,15-17H,3-9,12-14H2,1-2H3,(H,22,26)
InChIKeyASEZJNBDUVOFRL-UHFFFAOYSA-N
XLogP2.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817829
(3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 25379201
1-(cyclohexylmethyl)-6-oxo-N-[(5-oxo-1,4-dihydropyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 162153722
(3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 25454472
N-[(5-acetyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 159483287
1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
CID 45201964
(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 26330034
1-(cyclohexylmethyl)-6-oxo-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45188915
5-[[[(3S)-1-(cyclohexylmethyl)-6-oxopiperidine-3-carbonyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 97156072
1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45174365
(3S)-1-(cyclohexylmethyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 97122705
1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide
CID 72899173

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide (CID 72914179) is 1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide is CC(C)n1ccnc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is ASEZJNBDUVOFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15(2)24-11-10-21-18(24)12-22-20(26)17-8-9-19(25)23(14-17)13-16-6-4-3-5-7-16/h10-11,15-17H,3-9,12-14H2,1-2H3,(H,22,26).
What are the key properties of 1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide?
1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-6-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 72914179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).