1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide

C17H18F4N2O2 — CID 24791753

IUPAC1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)ccc1F)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C17H18F4N2O2/c18-14-5-2-12(17(19,20)21)7-11(14)8-22-16(25)10-1-6-15(24)23(9-10)13-3-4-13/h2,5,7,10,13H,1,3-4,6,8-9H2,(H,22,25)
InChIKeyVWVFEVCOBKJLCU-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.86
Rot. Bonds4

About 1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide

1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791753) has the molecular formula C17H18F4N2O2 and a molecular weight of 358.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791753
Molecular FormulaC17H18F4N2O2
Molecular Weight358.34 g/mol
Exact Mass358.13
IUPAC Name1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)ccc1F)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C17H18F4N2O2/c18-14-5-2-12(17(19,20)21)7-11(14)8-22-16(25)10-1-6-15(24)23(9-10)13-3-4-13/h2,5,7,10,13H,1,3-4,6,8-9H2,(H,22,25)
InChIKeyVWVFEVCOBKJLCU-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorobenzyl)piperidin-3-yl]cyclobutanecarboxamide
CID 23723581
1-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
1-cyclopropyl-N-(3-methylbenzyl)-6-oxo-3-piperidinecarboxamide
CID 24794298
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-5-(piperidin-1-yl)pentanamide
CID 11843945
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-cyclopropyl-4-(4-phenylpiperidin-1-yl)butanamide
CID 44415903
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-cyclopropyl-4-(4-(4-fluorophenyl)piperidin-1-yl)butanamide
CID 44416041
N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-phenylpiperidin-1-yl)cyclopentanecarboxamide
CID 44423281
N-(3,5-bis(trifluoromethyl)benzyl)-2-cyclopropyl-4-(4-(4-fluorophenyl)piperidin-1-yl)butanamide
CID 44447433
N-(3,5-bis(trifluoromethyl)benzyl)-2-cyclopropyl-4-(4-phenylpiperidin-1-yl)butanamide
CID 44447434
3-Amino-1-((3-(trifluoromethyl)phenyl)methyl)piperidin-2-one
CID 64236451
2-Phenyl-N-[1-(3-trifluoromethyl-benzyl)-piperidin-4-yl]-acetamide
CID 10948807
N-(1-benzylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 11793931

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide (CID 24791753) is 1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide is O=C(NCc1cc(C(F)(F)F)ccc1F)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is VWVFEVCOBKJLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N2O2/c18-14-5-2-12(17(19,20)21)7-11(14)8-22-16(25)10-1-6-15(24)23(9-10)13-3-4-13/h2,5,7,10,13H,1,3-4,6,8-9H2,(H,22,25).
What are the key properties of 1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 358.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).