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

C12H20N4O — CID 63293989

IUPAC4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCn1ccnc1CNC(=O)C1(C)CCNCC1
InChIInChI=1S/C12H20N4O/c1-12(3-5-13-6-4-12)11(17)15-9-10-14-7-8-16(10)2/h7-8,13H,3-6,9H2,1-2H3,(H,15,17)
InChIKeyLFGAIHQNDLYICY-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.43
Rot. Bonds3

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

4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 63293989) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID63293989
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCn1ccnc1CNC(=O)C1(C)CCNCC1
InChIInChI=1S/C12H20N4O/c1-12(3-5-13-6-4-12)11(17)15-9-10-14-7-8-16(10)2/h7-8,13H,3-6,9H2,1-2H3,(H,15,17)
InChIKeyLFGAIHQNDLYICY-UHFFFAOYSA-N
XLogP0.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
CID 55171775
1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 110438262
2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 82768436
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
CID 114528845
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 63122936
4-methyl-N-(1,2-oxazol-5-ylmethyl)piperidine-4-carboxamide
CID 106416927
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606
(3R)-3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-3-carboxamide
CID 125135274
N-[(1-methylimidazol-2-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 63902997

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (CID 63293989) is 4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is Cn1ccnc1CNC(=O)C1(C)CCNCC1.
What is the InChIKey of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is LFGAIHQNDLYICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(3-5-13-6-4-12)11(17)15-9-10-14-7-8-16(10)2/h7-8,13H,3-6,9H2,1-2H3,(H,15,17).
What are the key properties of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 63293989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).