N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

C20H31N3O — CID 50845478

IUPACN-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CN3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-16-5-7-19(8-6-16)21-20(24)23-12-9-18(10-13-23)15-22-11-3-4-17(2)14-22/h5-8,17-18H,3-4,9-15H2,1-2H3,(H,21,24)
InChIKeyQXLKZDCTPFEFCJ-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.97
Rot. Bonds3

About N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 50845478) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID50845478
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CN3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-16-5-7-19(8-6-16)21-20(24)23-12-9-18(10-13-23)15-22-11-3-4-17(2)14-22/h5-8,17-18H,3-4,9-15H2,1-2H3,(H,21,24)
InChIKeyQXLKZDCTPFEFCJ-UHFFFAOYSA-N
XLogP3.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845437
4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 92731351
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92901094
4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20930657
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 46366168
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 92731331
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 114802216
N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92731340

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (CID 50845478) is N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(CN3CCCC(C)C3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is QXLKZDCTPFEFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16-5-7-19(8-6-16)21-20(24)23-12-9-18(10-13-23)15-22-11-3-4-17(2)14-22/h5-8,17-18H,3-4,9-15H2,1-2H3,(H,21,24).
What are the key properties of N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 50845478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).