6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C23H25F3N2O2 — CID 24790160

IUPAC6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C23H25F3N2O2/c24-23(25,26)20-11-5-4-10-18(20)15-27-22(30)19-12-13-21(29)28(16-19)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,19H,6,9,12-16H2,(H,27,30)
InChIKeyHNJVTLBCVQCNFP-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.19
Rot. Bonds7

About 6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24790160) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24790160
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C23H25F3N2O2/c24-23(25,26)20-11-5-4-10-18(20)15-27-22(30)19-12-13-21(29)28(16-19)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,19H,6,9,12-16H2,(H,27,30)
InChIKeyHNJVTLBCVQCNFP-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24790160) is 6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1C(F)(F)F)C1CCC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of 6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is HNJVTLBCVQCNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c24-23(25,26)20-11-5-4-10-18(20)15-27-22(30)19-12-13-21(29)28(16-19)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,19H,6,9,12-16H2,(H,27,30).
What are the key properties of 6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(3-phenylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24790160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).