(3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide

C14H14F4N2O4 — CID 142869347

IUPAC(3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(OC(F)F)c1
InChIInChI=1S/C14H14F4N2O4/c15-13(16)23-9-4-3-7(6-10(9)24-14(17)18)20-12(22)8-2-1-5-19-11(8)21/h3-4,6,8,13-14H,1-2,5H2,(H,19,21)(H,20,22)/t8-/m0/s1
InChIKeyZPNQEUUMKGSFRL-QMMMGPOBSA-N
MW350.27 g/mol
LogP2.35
Rot. Bonds6

About (3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide

(3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide (PubChem CID 142869347) has the molecular formula C14H14F4N2O4 and a molecular weight of 350.27 g/mol. Its IUPAC name is (3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide
PubChem CID142869347
Molecular FormulaC14H14F4N2O4
Molecular Weight350.27 g/mol
Exact Mass350.09
IUPAC Name(3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(OC(F)F)c1
InChIInChI=1S/C14H14F4N2O4/c15-13(16)23-9-4-3-7(6-10(9)24-14(17)18)20-12(22)8-2-1-5-19-11(8)21/h3-4,6,8,13-14H,1-2,5H2,(H,19,21)(H,20,22)/t8-/m0/s1
InChIKeyZPNQEUUMKGSFRL-QMMMGPOBSA-N
XLogP2.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide
CID 142869382
2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide
CID 3137671
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
(3S)-N-(4-acetylphenyl)-2-oxopiperidine-3-carboxamide
CID 7046052
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981903
(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
CID 807343
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide
CID 112732263
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-2-carboxamide
CID 60927756
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465635

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide (CID 142869347) is (3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide is O=C1NCCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(OC(F)F)c1.
What is the InChIKey of (3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide?
The InChIKey is ZPNQEUUMKGSFRL-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H14F4N2O4/c15-13(16)23-9-4-3-7(6-10(9)24-14(17)18)20-12(22)8-2-1-5-19-11(8)21/h3-4,6,8,13-14H,1-2,5H2,(H,19,21)(H,20,22)/t8-/m0/s1.
What are the key properties of (3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide?
(3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide has a molecular weight of 350.27 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3,4-bis(difluoromethoxy)phenyl]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 142869347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).