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

C12H20N4O — CID 54873646

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCN(Cc1nccn1C)C(=O)C1CCNCC1
InChIInChI=1S/C12H20N4O/c1-15-8-7-14-11(15)9-16(2)12(17)10-3-5-13-6-4-10/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyUZUNWYJQGSMLIK-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.38
Rot. Bonds3

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

N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 54873646) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID54873646
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCN(Cc1nccn1C)C(=O)C1CCNCC1
InChIInChI=1S/C12H20N4O/c1-15-8-7-14-11(15)9-16(2)12(17)10-3-5-13-6-4-10/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyUZUNWYJQGSMLIK-UHFFFAOYSA-N
XLogP0.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63716496
2-(azetidin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 64612010
N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 64519230
4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 63021596
N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 63904236
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56862639
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42289849
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
5-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 60721954
1-(1-methylimidazol-2-yl)-4-piperidin-4-ylbutan-2-one
CID 116563440
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980175

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (CID 54873646) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is CN(Cc1nccn1C)C(=O)C1CCNCC1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is UZUNWYJQGSMLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-8-7-14-11(15)9-16(2)12(17)10-3-5-13-6-4-10/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 54873646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).