N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide

C12H20N4O — CID 110258642

IUPACN-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2nccn2C)C1
InChIInChI=1S/C12H20N4O/c1-13-12(17)10-4-3-6-16(8-10)9-11-14-5-7-15(11)2/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,13,17)
InChIKeyXVHYRWJTNQYZDF-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.38
Rot. Bonds3

About N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide

N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 110258642) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID110258642
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2nccn2C)C1
InChIInChI=1S/C12H20N4O/c1-13-12(17)10-4-3-6-16(8-10)9-11-14-5-7-15(11)2/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,13,17)
InChIKeyXVHYRWJTNQYZDF-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

(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 99932022
2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid
CID 83197847
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 70740554
1-cyclopentyl-3-[2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea
CID 56754673
1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea
CID 95218100
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45247244
[(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95549340
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439
6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 103196622
[(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 97202242

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide (CID 110258642) is N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide is CNC(=O)C1CCCN(Cc2nccn2C)C1.
What is the InChIKey of N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is XVHYRWJTNQYZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-12(17)10-4-3-6-16(8-10)9-11-14-5-7-15(11)2/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,13,17).
What are the key properties of N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide?
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-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-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110258642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).