(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide

C16H26N4O2 — CID 124730488

IUPAC(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
SMILESCO[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@H]1c1ncc[nH]1
InChIInChI=1S/C16H26N4O2/c1-22-14-8-3-2-6-12(14)19-16(21)20-11-5-4-7-13(20)15-17-9-10-18-15/h9-10,12-14H,2-8,11H2,1H3,(H,17,18)(H,19,21)/t12-,13-,14+/m0/s1
InChIKeyHNKNSVPDWJQQBA-MELADBBJSA-N
MW306.41 g/mol
LogP2.60
Rot. Bonds3

About (2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide

(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide (PubChem CID 124730488) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
PubChem CID124730488
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
SMILESCO[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@H]1c1ncc[nH]1
InChIInChI=1S/C16H26N4O2/c1-22-14-8-3-2-6-12(14)19-16(21)20-11-5-4-7-13(20)15-17-9-10-18-15/h9-10,12-14H,2-8,11H2,1H3,(H,17,18)(H,19,21)/t12-,13-,14+/m0/s1
InChIKeyHNKNSVPDWJQQBA-MELADBBJSA-N
XLogP2.60
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(2R)-2-(1H-imidazol-2-yl)-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]piperidine-1-carboxamide
CID 97085034
2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
(2R)-N-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 100900321
2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 71856052
(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124560581
(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 97005000
(2R)-2-(1H-imidazol-2-yl)-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 124608585
(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 95154853
(2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide
CID 97228858
(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 96999721
(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97028237
2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide (CID 124730488) is (2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide is CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@H]1c1ncc[nH]1.
What is the InChIKey of (2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide?
The InChIKey is HNKNSVPDWJQQBA-MELADBBJSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-22-14-8-3-2-6-12(14)19-16(21)20-11-5-4-7-13(20)15-17-9-10-18-15/h9-10,12-14H,2-8,11H2,1H3,(H,17,18)(H,19,21)/t12-,13-,14+/m0/s1.
What are the key properties of (2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide?
(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 124730488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).