N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride

C14H19ClF2N2O — CID 119269548

IUPACN-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCCN1)c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-9(10-5-6-11(15)12(16)8-10)18-14(19)13-4-2-3-7-17-13;/h5-6,8-9,13,17H,2-4,7H2,1H3,(H,18,19);1H
InChIKeyIACSMIMDLDRHKL-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.71
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride

N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119269548) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119269548
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCCN1)c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C14H18F2N2O.ClH/c1-9(10-5-6-11(15)12(16)8-10)18-14(19)13-4-2-3-7-17-13;/h5-6,8-9,13,17H,2-4,7H2,1H3,(H,18,19);1H
InChIKeyIACSMIMDLDRHKL-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 43709599
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide
CID 119333652
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
(2S)-N-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 99852704
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119276718
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide
CID 103808929
N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-2-carboxamide
CID 43705280
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide
CID 43704400

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119269548) is N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride is CC(NC(=O)C1CCCCN1)c1ccc(F)c(F)c1.Cl.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is IACSMIMDLDRHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c1-9(10-5-6-11(15)12(16)8-10)18-14(19)13-4-2-3-7-17-13;/h5-6,8-9,13,17H,2-4,7H2,1H3,(H,18,19);1H.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119269548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).