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

C19H26N4O — CID 75415290

IUPAC1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C19H26N4O/c1-15-5-3-4-6-17(15)13-21-19(24)16-7-10-23(11-8-16)14-18-20-9-12-22(18)2/h3-6,9,12,16H,7-8,10-11,13-14H2,1-2H3,(H,21,24)
InChIKeyNBDICVHGOHUAHM-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.26
Rot. Bonds5

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

1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 75415290) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID75415290
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(Cc2nccn2C)CC1
InChIInChI=1S/C19H26N4O/c1-15-5-3-4-6-17(15)13-21-19(24)16-7-10-23(11-8-16)14-18-20-9-12-22(18)2/h3-6,9,12,16H,7-8,10-11,13-14H2,1-2H3,(H,21,24)
InChIKeyNBDICVHGOHUAHM-UHFFFAOYSA-N
XLogP2.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 75415290) is 1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccccc1CNC(=O)C1CCN(Cc2nccn2C)CC1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is NBDICVHGOHUAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-5-3-4-6-17(15)13-21-19(24)16-7-10-23(11-8-16)14-18-20-9-12-22(18)2/h3-6,9,12,16H,7-8,10-11,13-14H2,1-2H3,(H,21,24).
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 75415290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).