(3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

C18H23F3N2O3 — CID 51937754

IUPAC(3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C18H23F3N2O3/c1-12(2)17(25)23-9-3-4-14(11-23)16(24)22-10-13-5-7-15(8-6-13)26-18(19,20)21/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyGMCVXSIFHFMVAH-CQSZACIVSA-N
MW372.39 g/mol
LogP3.10
Rot. Bonds5

About (3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

(3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 51937754) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is (3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID51937754
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name(3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C18H23F3N2O3/c1-12(2)17(25)23-9-3-4-14(11-23)16(24)22-10-13-5-7-15(8-6-13)26-18(19,20)21/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyGMCVXSIFHFMVAH-CQSZACIVSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 51937786
N-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344209
1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46573519
(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 51937811
methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
CID 43431630
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
(3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
CID 52539875
(3R)-3-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94249479
1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55749531

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (CID 51937754) is (3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of (3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is GMCVXSIFHFMVAH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-12(2)17(25)23-9-3-4-14(11-23)16(24)22-10-13-5-7-15(8-6-13)26-18(19,20)21/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
(3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 51937754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).