N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride

C18H18ClF3N2O — CID 119340819

IUPACN-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C18H17F3N2O.ClH/c19-14-9-12(10-15(20)17(14)21)13-3-1-2-4-16(13)23-18(24)11-5-7-22-8-6-11;/h1-4,9-11,22H,5-8H2,(H,23,24);1H
InChIKeyKSJCHSXWJRFDCD-UHFFFAOYSA-N
MW370.80 g/mol
LogP4.13
Rot. Bonds3

About N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride

N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119340819) has the molecular formula C18H18ClF3N2O and a molecular weight of 370.80 g/mol. Its IUPAC name is N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119340819
Molecular FormulaC18H18ClF3N2O
Molecular Weight370.80 g/mol
Exact Mass370.11
IUPAC NameN-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C18H17F3N2O.ClH/c19-14-9-12(10-15(20)17(14)21)13-3-1-2-4-16(13)23-18(24)11-5-7-22-8-6-11;/h1-4,9-11,22H,5-8H2,(H,23,24);1H
InChIKeyKSJCHSXWJRFDCD-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 119281807
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N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
CID 28969320
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119316629
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
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CID 119813729
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119264337
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
N-[2-(1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119270096
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330
N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 18072532

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119340819) is N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1-c1cc(F)c(F)c(F)c1)C1CCNCC1.
What is the InChIKey of N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is KSJCHSXWJRFDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O.ClH/c19-14-9-12(10-15(20)17(14)21)13-3-1-2-4-16(13)23-18(24)11-5-7-22-8-6-11;/h1-4,9-11,22H,5-8H2,(H,23,24);1H.
What are the key properties of N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 370.80 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5-trifluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119340819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).