N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide

C15H17ClF2N2O2 — CID 75468522

IUPACN-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)N(CC(F)F)c2cccc(Cl)c2)CC1=O
InChIInChI=1S/C15H17ClF2N2O2/c1-19-6-5-10(7-14(19)21)15(22)20(9-13(17)18)12-4-2-3-11(16)8-12/h2-4,8,10,13H,5-7,9H2,1H3
InChIKeyUKXBQUUMTDCEBQ-UHFFFAOYSA-N
MW330.76 g/mol
LogP2.81
Rot. Bonds4

About N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide

N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 75468522) has the molecular formula C15H17ClF2N2O2 and a molecular weight of 330.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID75468522
Molecular FormulaC15H17ClF2N2O2
Molecular Weight330.76 g/mol
Exact Mass330.09
IUPAC NameN-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)N(CC(F)F)c2cccc(Cl)c2)CC1=O
InChIInChI=1S/C15H17ClF2N2O2/c1-19-6-5-10(7-14(19)21)15(22)20(9-13(17)18)12-4-2-3-11(16)8-12/h2-4,8,10,13H,5-7,9H2,1H3
InChIKeyUKXBQUUMTDCEBQ-UHFFFAOYSA-N
XLogP2.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide (CID 75468522) is N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide is CN1CCC(C(=O)N(CC(F)F)c2cccc(Cl)c2)CC1=O.
What is the InChIKey of N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is UKXBQUUMTDCEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N2O2/c1-19-6-5-10(7-14(19)21)15(22)20(9-13(17)18)12-4-2-3-11(16)8-12/h2-4,8,10,13H,5-7,9H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide?
N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 330.76 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(2,2-difluoroethyl)-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 75468522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).