1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C14H14F4N2O2 — CID 119159271

IUPAC1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H14F4N2O2/c15-11-6-9(5-10(7-11)14(16,17)18)13(22)20-3-1-8(2-4-20)12(19)21/h5-8H,1-4H2,(H2,19,21)
InChIKeyCKDHISZFIYXCQG-UHFFFAOYSA-N
MW318.27 g/mol
LogP2.18
Rot. Bonds2

About 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 119159271) has the molecular formula C14H14F4N2O2 and a molecular weight of 318.27 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID119159271
Molecular FormulaC14H14F4N2O2
Molecular Weight318.27 g/mol
Exact Mass318.10
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H14F4N2O2/c15-11-6-9(5-10(7-11)14(16,17)18)13(22)20-3-1-8(2-4-20)12(19)21/h5-8H,1-4H2,(H2,19,21)
InChIKeyCKDHISZFIYXCQG-UHFFFAOYSA-N
XLogP2.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminopiperidin-1-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 119377027
1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide
CID 119138735
[(3S)-3-aminopyrrolidin-1-yl]-[3-fluoro-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119934620
icosyl 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91744892
octyl 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91731428
2-amino-1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 68777546
2-[1-[3-fluoro-5-(trifluoromethyl)benzoyl]azepan-4-yl]acetic acid
CID 120949981
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 120655536
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108530325
[3,5-bis(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 121130936
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 119159271) is 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is CKDHISZFIYXCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O2/c15-11-6-9(5-10(7-11)14(16,17)18)13(22)20-3-1-8(2-4-20)12(19)21/h5-8H,1-4H2,(H2,19,21).
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 318.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 119159271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).