N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride

C13H17ClF2N2O — CID 119314349

IUPACN-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(F)F)c1)C1CCNCC1
InChIInChI=1S/C13H16F2N2O.ClH/c14-12(15)10-2-1-3-11(8-10)17-13(18)9-4-6-16-7-5-9;/h1-3,8-9,12,16H,4-7H2,(H,17,18);1H
InChIKeyJXQGNZNXKGHWTL-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.98
Rot. Bonds3

About N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride

N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119314349) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119314349
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC NameN-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(F)F)c1)C1CCNCC1
InChIInChI=1S/C13H16F2N2O.ClH/c14-12(15)10-2-1-3-11(8-10)17-13(18)9-4-6-16-7-5-9;/h1-3,8-9,12,16H,4-7H2,(H,17,18);1H
InChIKeyJXQGNZNXKGHWTL-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305159
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119300266
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide
CID 119333866
N-[3-(difluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770551
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119314349) is N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(C(F)F)c1)C1CCNCC1.
What is the InChIKey of N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is JXQGNZNXKGHWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c14-12(15)10-2-1-3-11(8-10)17-13(18)9-4-6-16-7-5-9;/h1-3,8-9,12,16H,4-7H2,(H,17,18);1H.
What are the key properties of N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119314349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).