1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C16H17F3N2O2 — CID 135346548

IUPAC1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1C(=O)N(C2CC2)CCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)10-3-1-2-9(8-10)12-6-7-21(11-4-5-11)15(23)13(12)14(20)22/h1-3,8,11-13H,4-7H2,(H2,20,22)
InChIKeyGFFMYYVARFDYOD-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.29
Rot. Bonds3

About 1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 135346548) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID135346548
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1C(=O)N(C2CC2)CCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)10-3-1-2-9(8-10)12-6-7-21(11-4-5-11)15(23)13(12)14(20)22/h1-3,8,11-13H,4-7H2,(H2,20,22)
InChIKeyGFFMYYVARFDYOD-UHFFFAOYSA-N
XLogP2.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 22128208
tert-butyl (3S,4R)-3-amino-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 39872224
trans-(1R,3R)-2,2-dichloro-3-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 162607705
diethyl 1-cyclopropyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 15170369
2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid
CID 138056859
1-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidine
CID 151676158
cyclopropyl-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7364657
1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 151577152
[(3S)-3-(pyrrolidine-1-carbonyl)-2-azabicyclo[2.2.2]octan-2-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 67620790
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
2-[3-(trifluoromethyl)phenyl]cyclobutane-1-carbaldehyde
CID 105485228
(3-piperazin-1-ylpyrrolidin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 120996310

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 135346548) is 1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is NC(=O)C1C(=O)N(C2CC2)CCC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is GFFMYYVARFDYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)10-3-1-2-9(8-10)12-6-7-21(11-4-5-11)15(23)13(12)14(20)22/h1-3,8,11-13H,4-7H2,(H2,20,22).
What are the key properties of 1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-oxo-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 135346548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).