5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide

C14H15F3N2O3 — CID 75607730

IUPAC5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C14H15F3N2O3/c1-22-12-7-18-10(6-11(12)20)13(21)19-9-4-2-8(3-5-9)14(15,16)17/h2-5,10,12,18H,6-7H2,1H3,(H,19,21)
InChIKeyQOJCMBREEXRBRM-UHFFFAOYSA-N
MW316.28 g/mol
LogP1.59
Rot. Bonds3

About 5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide

5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide (PubChem CID 75607730) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
PubChem CID75607730
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C14H15F3N2O3/c1-22-12-7-18-10(6-11(12)20)13(21)19-9-4-2-8(3-5-9)14(15,16)17/h2-5,10,12,18H,6-7H2,1H3,(H,19,21)
InChIKeyQOJCMBREEXRBRM-UHFFFAOYSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-oxo-N-pyridin-3-ylpiperidine-2-carboxamide
CID 75982447
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
2-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 79383303
1,3-dimethyl-2,4,6-trioxo-N-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 70595319
azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79338363
4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119878540
2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 18709942
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 66186397
methyl (2R,5R)-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxylate
CID 96530379
methyl (2S,5S)-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxylate
CID 96530381

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide (CID 75607730) is 5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide is COC1CNC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1=O.
What is the InChIKey of 5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The InChIKey is QOJCMBREEXRBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-22-12-7-18-10(6-11(12)20)13(21)19-9-4-2-8(3-5-9)14(15,16)17/h2-5,10,12,18H,6-7H2,1H3,(H,19,21).
What are the key properties of 5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 75607730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).