2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide

C19H23F3N2O4 — CID 112500190

IUPAC2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide
SMILESO=C1CC(NC(=O)c2cc(OC(F)(F)F)ccc2OCC2CCCC2)CCN1
InChIInChI=1S/C19H23F3N2O4/c20-19(21,22)28-14-5-6-16(27-11-12-3-1-2-4-12)15(10-14)18(26)24-13-7-8-23-17(25)9-13/h5-6,10,12-13H,1-4,7-9,11H2,(H,23,25)(H,24,26)
InChIKeyPPQCOFHAKONULL-UHFFFAOYSA-N
MW400.40 g/mol
LogP3.16
Rot. Bonds6

About 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide

2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide (PubChem CID 112500190) has the molecular formula C19H23F3N2O4 and a molecular weight of 400.40 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide
PubChem CID112500190
Molecular FormulaC19H23F3N2O4
Molecular Weight400.40 g/mol
Exact Mass400.16
IUPAC Name2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide
SMILESO=C1CC(NC(=O)c2cc(OC(F)(F)F)ccc2OCC2CCCC2)CCN1
InChIInChI=1S/C19H23F3N2O4/c20-19(21,22)28-14-5-6-16(27-11-12-3-1-2-4-12)15(10-14)18(26)24-13-7-8-23-17(25)9-13/h5-6,10,12-13H,1-4,7-9,11H2,(H,23,25)(H,24,26)
InChIKeyPPQCOFHAKONULL-UHFFFAOYSA-N
XLogP3.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500174
2-(cyclopentylmethoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethoxy)benzamide
CID 90034788
2-(4-methoxy-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
CID 112500121
2-(2-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
CID 112500113
4,5-dichloro-2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)benzamide
CID 112500169
N-(5-oxopyrrolidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 71789114
2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500065
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
4-[3-bromo-4-(trifluoromethoxy)anilino]azepan-2-one
CID 107336161
4-methoxy-N-(2-oxoazepan-4-yl)benzamide
CID 19090438
N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
CID 116629081
N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide
CID 18648125

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide?
The IUPAC name of 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide (CID 112500190) is 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide is O=C1CC(NC(=O)c2cc(OC(F)(F)F)ccc2OCC2CCCC2)CCN1.
What is the InChIKey of 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide?
The InChIKey is PPQCOFHAKONULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O4/c20-19(21,22)28-14-5-6-16(27-11-12-3-1-2-4-12)15(10-14)18(26)24-13-7-8-23-17(25)9-13/h5-6,10,12-13H,1-4,7-9,11H2,(H,23,25)(H,24,26).
What are the key properties of 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide?
2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide has a molecular weight of 400.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethoxy)benzamide is sourced from PubChem (CID 112500190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).