N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide

C17H28N4O — CID 90494748

IUPACN-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1nccn1CC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H28N4O/c1-14-18-9-12-21(14)13-15-7-10-20(11-8-15)17(22)19-16-5-3-2-4-6-16/h9,12,15-16H,2-8,10-11,13H2,1H3,(H,19,22)
InChIKeyLSUGVIKNMBKMIC-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.95
Rot. Bonds3

About N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide

N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 90494748) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
PubChem CID90494748
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1nccn1CC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H28N4O/c1-14-18-9-12-21(14)13-15-7-10-20(11-8-15)17(22)19-16-5-3-2-4-6-16/h9,12,15-16H,2-8,10-11,13H2,1H3,(H,19,22)
InChIKeyLSUGVIKNMBKMIC-UHFFFAOYSA-N
XLogP2.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylimidazol-1-yl)methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 71781142
N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781139
[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
CID 91797183
N-cycloheptyl-4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126941551
2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 90494621
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781145
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493668
1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90493104
N-cycloheptyl-4-[(4-cyclopropyltriazol-1-yl)methyl]piperidine-1-carboxamide
CID 46999186
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide (CID 90494748) is N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide is Cc1nccn1CC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is LSUGVIKNMBKMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14-18-9-12-21(14)13-15-7-10-20(11-8-15)17(22)19-16-5-3-2-4-6-16/h9,12,15-16H,2-8,10-11,13H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 90494748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).