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

C19H22F4N2O2 — CID 24790566

IUPAC1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(C(F)(F)F)c1)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H22F4N2O2/c20-15-8-12(7-14(9-15)19(21,22)23)10-24-18(27)13-5-6-17(26)25(11-13)16-3-1-2-4-16/h7-9,13,16H,1-6,10-11H2,(H,24,27)
InChIKeyCRDGLRWUOCAXNE-UHFFFAOYSA-N
MW386.39 g/mol
LogP3.64
Rot. Bonds4

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

1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790566) has the molecular formula C19H22F4N2O2 and a molecular weight of 386.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790566
Molecular FormulaC19H22F4N2O2
Molecular Weight386.39 g/mol
Exact Mass386.16
IUPAC Name1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(C(F)(F)F)c1)C1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H22F4N2O2/c20-15-8-12(7-14(9-15)19(21,22)23)10-24-18(27)13-5-6-17(26)25(11-13)16-3-1-2-4-16/h7-9,13,16H,1-6,10-11H2,(H,24,27)
InChIKeyCRDGLRWUOCAXNE-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-phenylpiperidin-1-yl)cyclopentanecarboxamide
CID 44423281
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
N-(3,4-difluorobenzyl)-3-[1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]propanamide
CID 16192302
cis-(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-phenylpiperidin-1-yl)cyclopentanecarboxamide
CID 16720313
6-oxo-1-(3-phenylpropyl)-N-[2-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24790160
1-(2-fluorobenzyl)-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-3-piperidinecarboxamide
CID 24790737
N-cyclohexyl-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24791142

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide (CID 24790566) is 1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide is O=C(NCc1cc(F)cc(C(F)(F)F)c1)C1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is CRDGLRWUOCAXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N2O2/c20-15-8-12(7-14(9-15)19(21,22)23)10-24-18(27)13-5-6-17(26)25(11-13)16-3-1-2-4-16/h7-9,13,16H,1-6,10-11H2,(H,24,27).
What are the key properties of 1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide?
1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 386.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).