1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

C17H22N2O2 — CID 24790435

IUPAC1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C17H22N2O2/c1-12-4-2-3-5-13(12)10-18-17(21)14-6-9-16(20)19(11-14)15-7-8-15/h2-5,14-15H,6-11H2,1H3,(H,18,21)
InChIKeyKLMKRMNTKNKVKF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.01
Rot. Bonds4

About 1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790435) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790435
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C17H22N2O2/c1-12-4-2-3-5-13(12)10-18-17(21)14-6-9-16(20)19(11-14)15-7-8-15/h2-5,14-15H,6-11H2,1H3,(H,18,21)
InChIKeyKLMKRMNTKNKVKF-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-cyclopropyl-3-N-methyl-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3,5-dicarboxamide
CID 126676281
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CID 801556
1-(2-Methyl-benzoyl)-piperidine-4-carboxylic acid cycloheptylamide
CID 802244
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
2-butyl-N,N'-bis(1-phenylethyl)propanediamide
CID 4437021
3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
CID 4786488
2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 6464276
2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 6466086
1-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
1-cyclopropyl-N-(3-methylbenzyl)-6-oxo-3-piperidinecarboxamide
CID 24794298
1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 24819950
2-methyl-N-[1-[(1-phenylcyclohexyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 44522207

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790435) is 1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccccc1CNC(=O)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is KLMKRMNTKNKVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-4-2-3-5-13(12)10-18-17(21)14-6-9-16(20)19(11-14)15-7-8-15/h2-5,14-15H,6-11H2,1H3,(H,18,21).
What are the key properties of 1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).