N-(3,4-difluorophenyl)piperidine-1-carboxamide

C12H14F2N2O — CID 90728139

IUPACN-(3,4-difluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCCCC1
InChIInChI=1S/C12H14F2N2O/c13-10-5-4-9(8-11(10)14)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17)
InChIKeyCNRTXYLINPPVHA-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.98
Rot. Bonds1

About N-(3,4-difluorophenyl)piperidine-1-carboxamide

N-(3,4-difluorophenyl)piperidine-1-carboxamide (PubChem CID 90728139) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)piperidine-1-carboxamide
PubChem CID90728139
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC NameN-(3,4-difluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCCCC1
InChIInChI=1S/C12H14F2N2O/c13-10-5-4-9(8-11(10)14)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17)
InChIKeyCNRTXYLINPPVHA-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]azepane-1-carboxamide
CID 79157683
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 146121673
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide
CID 116657035
3-[2-fluoro-4-(piperidine-1-carbonylamino)phenyl]prop-2-enoic acid
CID 79156921
N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127673
(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 96559490
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)piperidine-1-carboxamide (CID 90728139) is N-(3,4-difluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(F)c(F)c1)N1CCCCC1.
What is the InChIKey of N-(3,4-difluorophenyl)piperidine-1-carboxamide?
The InChIKey is CNRTXYLINPPVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-10-5-4-9(8-11(10)14)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17).
What are the key properties of N-(3,4-difluorophenyl)piperidine-1-carboxamide?
N-(3,4-difluorophenyl)piperidine-1-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 90728139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).