1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

C23H27N3O2 — CID 138996832

IUPAC1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)C3(c4cccc(C)c4)CC3)C2)nc1
InChIInChI=1S/C23H27N3O2/c1-16-5-3-7-19(13-16)23(10-11-23)22(28)26-12-4-6-18(15-26)21(27)25-20-9-8-17(2)14-24-20/h3,5,7-9,13-14,18H,4,6,10-12,15H2,1-2H3,(H,24,25,27)
InChIKeyXLQRAHPNUHQYGV-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.61
Rot. Bonds4

About 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 138996832) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID138996832
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)C3(c4cccc(C)c4)CC3)C2)nc1
InChIInChI=1S/C23H27N3O2/c1-16-5-3-7-19(13-16)23(10-11-23)22(28)26-12-4-6-18(15-26)21(27)25-20-9-8-17(2)14-24-20/h3,5,7-9,13-14,18H,4,6,10-12,15H2,1-2H3,(H,24,25,27)
InChIKeyXLQRAHPNUHQYGV-UHFFFAOYSA-N
XLogP3.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-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

1-(4-methoxypiperidine-4-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 119855248
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 120643645
4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122021540
(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 43416776
1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55808746
1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810021
1-[1-(4-fluorophenyl)cyclobutanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810106
1-[1-(4-methylphenyl)cyclobutanecarbonyl]-N-phenylpiperidine-3-carboxamide
CID 142125162
(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94667048
3-N-(5-methyl-2-pyridinyl)-1-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 51122140
1-(1-methyl-2-oxoquinoline-4-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809832

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 138996832) is 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)C3(c4cccc(C)c4)CC3)C2)nc1.
What is the InChIKey of 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is XLQRAHPNUHQYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-5-3-7-19(13-16)23(10-11-23)22(28)26-12-4-6-18(15-26)21(27)25-20-9-8-17(2)14-24-20/h3,5,7-9,13-14,18H,4,6,10-12,15H2,1-2H3,(H,24,25,27).
What are the key properties of 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 138996832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).