N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride

C18H24ClF3N2O — CID 119297142

IUPACN-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(c1cccc(C(F)(F)F)c1)N(C(=O)C1CCNCC1)C1CC1.Cl
InChIInChI=1S/C18H23F3N2O.ClH/c1-12(14-3-2-4-15(11-14)18(19,20)21)23(16-5-6-16)17(24)13-7-9-22-10-8-13;/h2-4,11-13,16,22H,5-10H2,1H3;1H
InChIKeyLHIHZPRIBWXWLZ-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.18
Rot. Bonds4

About N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride

N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119297142) has the molecular formula C18H24ClF3N2O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119297142
Molecular FormulaC18H24ClF3N2O
Molecular Weight376.85 g/mol
Exact Mass376.15
IUPAC NameN-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(c1cccc(C(F)(F)F)c1)N(C(=O)C1CCNCC1)C1CC1.Cl
InChIInChI=1S/C18H23F3N2O.ClH/c1-12(14-3-2-4-15(11-14)18(19,20)21)23(16-5-6-16)17(24)13-7-9-22-10-8-13;/h2-4,11-13,16,22H,5-10H2,1H3;1H
InChIKeyLHIHZPRIBWXWLZ-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624126
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119181796
3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99849482
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide
CID 145326526
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 119329896
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008
4-amino-N-cyclopropyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120589542
N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112820407
N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119550376
piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11392289
N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 52573052
N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 56684341

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride (CID 119297142) is N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride is CC(c1cccc(C(F)(F)F)c1)N(C(=O)C1CCNCC1)C1CC1.Cl.
What is the InChIKey of N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is LHIHZPRIBWXWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O.ClH/c1-12(14-3-2-4-15(11-14)18(19,20)21)23(16-5-6-16)17(24)13-7-9-22-10-8-13;/h2-4,11-13,16,22H,5-10H2,1H3;1H.
What are the key properties of N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 376.85 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119297142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).