N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide

C13H15F3N2O2 — CID 60927755

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)C1CCNCC1
InChIInChI=1S/C13H15F3N2O2/c14-10-7-9(1-2-11(10)20-13(15)16)18-12(19)8-3-5-17-6-4-8/h1-2,7-8,13,17H,3-6H2,(H,18,19)
InChIKeyAODLWZNQEKFUPR-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.37
Rot. Bonds4

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

N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide (PubChem CID 60927755) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
PubChem CID60927755
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(F)c1)C1CCNCC1
InChIInChI=1S/C13H15F3N2O2/c14-10-7-9(1-2-11(10)20-13(15)16)18-12(19)8-3-5-17-6-4-8/h1-2,7-8,13,17H,3-6H2,(H,18,19)
InChIKeyAODLWZNQEKFUPR-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623737
N-[4-(difluoromethoxy)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981903
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopiperidine-3-carboxamide
CID 112732263
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-2-carboxamide
CID 60927756
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986614
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
4-(difluoromethoxy)-3-fluoro-N-(piperidin-4-ylmethyl)aniline
CID 79708271
N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119786762
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
N-(3-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 98034216
N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide
CID 43706019

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide (CID 60927755) is N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide is O=C(Nc1ccc(OC(F)F)c(F)c1)C1CCNCC1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide?
The InChIKey is AODLWZNQEKFUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-10-7-9(1-2-11(10)20-13(15)16)18-12(19)8-3-5-17-6-4-8/h1-2,7-8,13,17H,3-6H2,(H,18,19).
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide?
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.37, 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]piperidine-4-carboxamide is sourced from PubChem (CID 60927755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).