1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

C17H22N2O2 — CID 24816632

IUPAC1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-12-2-4-13(5-3-12)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)
InChIKeyQJYRATOIYWFBOS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.01
Rot. Bonds4

About 1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24816632) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24816632
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(C3CC3)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-12-2-4-13(5-3-12)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)
InChIKeyQJYRATOIYWFBOS-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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24816632) is 1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCC(=O)N(C3CC3)C2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is QJYRATOIYWFBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-2-4-13(5-3-12)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-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-cyclopropyl-N-[(4-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-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24816632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).