N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide

C23H29N3O2 — CID 113004823

IUPACN-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)N(C)CCc3ccncc3)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-18-4-3-5-20(16-18)17-22(27)26-14-9-21(10-15-26)23(28)25(2)13-8-19-6-11-24-12-7-19/h3-7,11-12,16,21H,8-10,13-15,17H2,1-2H3
InChIKeyWNHJSAVQAPJPLT-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.87
Rot. Bonds6

About N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide

N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 113004823) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
PubChem CID113004823
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)N(C)CCc3ccncc3)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-18-4-3-5-20(16-18)17-22(27)26-14-9-21(10-15-26)23(28)25(2)13-8-19-6-11-24-12-7-19/h3-7,11-12,16,21H,8-10,13-15,17H2,1-2H3
InChIKeyWNHJSAVQAPJPLT-UHFFFAOYSA-N
XLogP2.87
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)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

Related Compounds

N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 113006248
N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 109146245
N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004413
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005685
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide
CID 108984689
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149196
N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 82132898
1-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113003721

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide (CID 113004823) is N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide is Cc1cccc(CC(=O)N2CCC(C(=O)N(C)CCc3ccncc3)CC2)c1.
What is the InChIKey of N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is WNHJSAVQAPJPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-4-3-5-20(16-18)17-22(27)26-14-9-21(10-15-26)23(28)25(2)13-8-19-6-11-24-12-7-19/h3-7,11-12,16,21H,8-10,13-15,17H2,1-2H3.
What are the key properties of N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 113004823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).