N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide

C17H22N2O3 — CID 71689571

IUPACN-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NC3CC3)CCC(=O)N2C)cc1
InChIInChI=1S/C17H22N2O3/c1-19-15(20)10-9-14(17(21)18-12-5-6-12)16(19)11-3-7-13(22-2)8-4-11/h3-4,7-8,12,14,16H,5-6,9-10H2,1-2H3,(H,18,21)
InChIKeyKBFMZAVTADHCDG-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.88
Rot. Bonds4

About N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide

N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 71689571) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
PubChem CID71689571
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NC3CC3)CCC(=O)N2C)cc1
InChIInChI=1S/C17H22N2O3/c1-19-15(20)10-9-14(17(21)18-12-5-6-12)16(19)11-3-7-13(22-2)8-4-11/h3-4,7-8,12,14,16H,5-6,9-10H2,1-2H3,(H,18,21)
InChIKeyKBFMZAVTADHCDG-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide (CID 71689571) is N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide is COc1ccc(C2C(C(=O)NC3CC3)CCC(=O)N2C)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is KBFMZAVTADHCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-19-15(20)10-9-14(17(21)18-12-5-6-12)16(19)11-3-7-13(22-2)8-4-11/h3-4,7-8,12,14,16H,5-6,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 71689571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).