N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide

C13H13F3N2O3 — CID 112732263

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(OC(F)F)c(F)c2)CN1
InChIInChI=1S/C13H13F3N2O3/c14-9-5-8(2-3-10(9)21-13(15)16)18-12(20)7-1-4-11(19)17-6-7/h2-3,5,7,13H,1,4,6H2,(H,17,19)(H,18,20)
InChIKeyAGDMXIITVKZUCT-UHFFFAOYSA-N
MW302.25 g/mol
LogP1.89
Rot. Bonds4

About N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide

N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide (PubChem CID 112732263) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide
PubChem CID112732263
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(OC(F)F)c(F)c2)CN1
InChIInChI=1S/C13H13F3N2O3/c14-9-5-8(2-3-10(9)21-13(15)16)18-12(20)7-1-4-11(19)17-6-7/h2-3,5,7,13H,1,4,6H2,(H,17,19)(H,18,20)
InChIKeyAGDMXIITVKZUCT-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981903
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
(2S,4S)-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623737
N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide
CID 51092092
(3R)-N-(4-fluoro-3-pyrrol-1-ylphenyl)-6-oxopiperidine-3-carboxamide
CID 96501783
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-2-carboxamide
CID 60927756
9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986614
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
(3S)-6-oxo-N-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)piperidine-3-carboxamide
CID 99591065
6-oxo-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-3-carboxamide
CID 112728654
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide (CID 112732263) is N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)Nc2ccc(OC(F)F)c(F)c2)CN1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is AGDMXIITVKZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-9-5-8(2-3-10(9)21-13(15)16)18-12(20)7-1-4-11(19)17-6-7/h2-3,5,7,13H,1,4,6H2,(H,17,19)(H,18,20).
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide?
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 302.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112732263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).