(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C18H23F3N2O2 — CID 94857474

IUPAC(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H23F3N2O2/c1-17(2,3)16(25)23-9-5-6-12(11-23)15(24)22-14-8-4-7-13(10-14)18(19,20)21/h4,7-8,10,12H,5-6,9,11H2,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeyAFIUOCWNHHMISC-LBPRGKRZSA-N
MW356.39 g/mol
LogP3.93
Rot. Bonds2

About (3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 94857474) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is (3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID94857474
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H23F3N2O2/c1-17(2,3)16(25)23-9-5-6-12(11-23)15(24)22-14-8-4-7-13(10-14)18(19,20)21/h4,7-8,10,12H,5-6,9,11H2,1-3H3,(H,22,24)/t12-/m0/s1
InChIKeyAFIUOCWNHHMISC-LBPRGKRZSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47984504
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857626
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-(3,5-difluoro-4-iodophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 60610834

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 94857474) is (3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is AFIUOCWNHHMISC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-17(2,3)16(25)23-9-5-6-12(11-23)15(24)22-14-8-4-7-13(10-14)18(19,20)21/h4,7-8,10,12H,5-6,9,11H2,1-3H3,(H,22,24)/t12-/m0/s1.
What are the key properties of (3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 94857474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).