2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide

C16H20N4O2 — CID 51107826

IUPAC2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC2c2ncc[nH]2)cc1
InChIInChI=1S/C16H20N4O2/c1-22-13-7-5-12(6-8-13)19-16(21)20-11-3-2-4-14(20)15-17-9-10-18-15/h5-10,14H,2-4,11H2,1H3,(H,17,18)(H,19,21)
InChIKeyXELRJATYLRMJPB-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.18
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide

2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 51107826) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
PubChem CID51107826
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC2c2ncc[nH]2)cc1
InChIInChI=1S/C16H20N4O2/c1-22-13-7-5-12(6-8-13)19-16(21)20-11-3-2-4-14(20)15-17-9-10-18-15/h5-10,14H,2-4,11H2,1H3,(H,17,18)(H,19,21)
InChIKeyXELRJATYLRMJPB-UHFFFAOYSA-N
XLogP3.18
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483
3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 136529933
(2S)-2-(1H-imidazol-2-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)piperidine-1-carboxamide
CID 97054065
2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 3231348
2-(1H-imidazol-2-yl)-N-(3-methyl-4-nitrophenyl)piperidine-1-carboxamide
CID 86796873
(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 124730488
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2R)-N-(4-methoxyphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
CID 97252833
(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 96999721
2-(1H-imidazol-2-yl)-N-(2-methylquinolin-8-yl)piperidine-1-carboxamide
CID 71972132
2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 71856052
(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 97005000

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide (CID 51107826) is 2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCCC2c2ncc[nH]2)cc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is XELRJATYLRMJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-13-7-5-12(6-8-13)19-16(21)20-11-3-2-4-14(20)15-17-9-10-18-15/h5-10,14H,2-4,11H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 51107826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).