N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide

C13H13F3N2O3 — CID 47086081

IUPACN-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCCNC1=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)21-9-5-3-8(4-6-9)11(19)18-10-2-1-7-17-12(10)20/h3-6,10H,1-2,7H2,(H,17,20)(H,18,19)
InChIKeyZOMBDSUEPFCCDO-UHFFFAOYSA-N
MW302.25 g/mol
LogP1.59
Rot. Bonds3

About N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide

N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 47086081) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
PubChem CID47086081
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC NameN-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NC1CCCNC1=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)21-9-5-3-8(4-6-9)11(19)18-10-2-1-7-17-12(10)20/h3-6,10H,1-2,7H2,(H,17,20)(H,18,19)
InChIKeyZOMBDSUEPFCCDO-UHFFFAOYSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55809279
(3S,4R,5R)-4,5-dihydroxy-N-[(3R)-2-oxopiperidin-3-yl]-3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexene-1-carboxamide
CID 162804490
(3R,4R,5R)-4,5-dihydroxy-N-[(3S)-2-oxopiperidin-3-yl]-3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexene-1-carboxamide
CID 11866339
4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide
CID 51099333
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
CID 116629081
(3S)-3-[[4-(trifluoromethoxy)phenyl]methylamino]azepan-2-one
CID 93043985
N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 71789114
4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110
4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
CID 54765874

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide (CID 47086081) is N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide is O=C(NC1CCCNC1=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is ZOMBDSUEPFCCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-13(15,16)21-9-5-3-8(4-6-9)11(19)18-10-2-1-7-17-12(10)20/h3-6,10H,1-2,7H2,(H,17,20)(H,18,19).
What are the key properties of N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide?
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 302.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 47086081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).