(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

C17H21F3N2O3 — CID 51937786

IUPAC(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C17H21F3N2O3/c1-11(2)16(24)22-8-4-5-12(10-22)15(23)21-13-6-3-7-14(9-13)25-17(18,19)20/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyHGZVOTXXLNYVHG-LBPRGKRZSA-N
MW358.36 g/mol
LogP3.42
Rot. Bonds4

About (3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 51937786) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is (3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
PubChem CID51937786
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C17H21F3N2O3/c1-11(2)16(24)22-8-4-5-12(10-22)15(23)21-13-6-3-7-14(9-13)25-17(18,19)20/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyHGZVOTXXLNYVHG-LBPRGKRZSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)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

N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
tert-butyl (3R)-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 156743217
1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 95143295
1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 60563034
(3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 51937754
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066391
4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 60848453
1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
CID 119275697
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 46663268

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (CID 51937786) is (3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide is CC(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of (3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is HGZVOTXXLNYVHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-11(2)16(24)22-8-4-5-12(10-22)15(23)21-13-6-3-7-14(9-13)25-17(18,19)20/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H,21,23)/t12-/m0/s1.
What are the key properties of (3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 51937786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).