1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide

C16H19ClF2N2O2 — CID 71858673

IUPAC1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CC(F)F)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H19ClF2N2O2/c1-11(22)20-7-5-12(6-8-20)16(23)21(10-15(18)19)14-4-2-3-13(17)9-14/h2-4,9,12,15H,5-8,10H2,1H3
InChIKeyOLRUIFYGCBVIRO-UHFFFAOYSA-N
MW344.79 g/mol
LogP3.20
Rot. Bonds4

About 1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide

1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide (PubChem CID 71858673) has the molecular formula C16H19ClF2N2O2 and a molecular weight of 344.79 g/mol. Its IUPAC name is 1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide
PubChem CID71858673
Molecular FormulaC16H19ClF2N2O2
Molecular Weight344.79 g/mol
Exact Mass344.11
IUPAC Name1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CC(F)F)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H19ClF2N2O2/c1-11(22)20-7-5-12(6-8-20)16(23)21(10-15(18)19)14-4-2-3-13(17)9-14/h2-4,9,12,15H,5-8,10H2,1H3
InChIKeyOLRUIFYGCBVIRO-UHFFFAOYSA-N
XLogP3.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide (CID 71858673) is 1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(CC(F)F)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide?
The InChIKey is OLRUIFYGCBVIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF2N2O2/c1-11(22)20-7-5-12(6-8-20)16(23)21(10-15(18)19)14-4-2-3-13(17)9-14/h2-4,9,12,15H,5-8,10H2,1H3.
What are the key properties of 1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide?
1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide has a molecular weight of 344.79 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-chlorophenyl)-N-(2,2-difluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 71858673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).