N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide

C11H18N4O — CID 79163270

IUPACN-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCc2ncc[nH]2)CC1
InChIInChI=1S/C11H18N4O/c1-9-2-6-15(7-3-9)11(16)14-8-10-12-4-5-13-10/h4-5,9H,2-3,6-8H2,1H3,(H,12,13)(H,14,16)
InChIKeyZSODZQJFTMJMAN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.35
Rot. Bonds2

About N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide

N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide (PubChem CID 79163270) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide
PubChem CID79163270
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCc2ncc[nH]2)CC1
InChIInChI=1S/C11H18N4O/c1-9-2-6-15(7-3-9)11(16)14-8-10-12-4-5-13-10/h4-5,9H,2-3,6-8H2,1H3,(H,12,13)(H,14,16)
InChIKeyZSODZQJFTMJMAN-UHFFFAOYSA-N
XLogP1.35
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383293
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 130622379
2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391069
4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 115584087
1-[1-(1H-imidazol-2-ylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311961
N-(2,2-dimethylpropyl)-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 110748389
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019610
(3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 96568857
N-[2-(1H-imidazol-2-yl)ethyl]-4-thiomorpholin-4-ylpiperidine-1-carboxamide
CID 122561713
2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978844

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide (CID 79163270) is N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCc2ncc[nH]2)CC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is ZSODZQJFTMJMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9-2-6-15(7-3-9)11(16)14-8-10-12-4-5-13-10/h4-5,9H,2-3,6-8H2,1H3,(H,12,13)(H,14,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide?
N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79163270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).