2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide

C19H23F3N2O3 — CID 112500174

IUPAC2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(C(F)(F)F)cc2OCC2CCCC2)CCN1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)13-5-6-15(16(9-13)27-11-12-3-1-2-4-12)18(26)24-14-7-8-23-17(25)10-14/h5-6,9,12,14H,1-4,7-8,10-11H2,(H,23,25)(H,24,26)
InChIKeySNZRNQVKSJKQKS-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.28
Rot. Bonds5

About 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide

2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 112500174) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID112500174
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(C(F)(F)F)cc2OCC2CCCC2)CCN1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)13-5-6-15(16(9-13)27-11-12-3-1-2-4-12)18(26)24-14-7-8-23-17(25)10-14/h5-6,9,12,14H,1-4,7-8,10-11H2,(H,23,25)(H,24,26)
InChIKeySNZRNQVKSJKQKS-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide (CID 112500174) is 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide is O=C1CC(NC(=O)c2ccc(C(F)(F)F)cc2OCC2CCCC2)CCN1.
What is the InChIKey of 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is SNZRNQVKSJKQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c20-19(21,22)13-5-6-15(16(9-13)27-11-12-3-1-2-4-12)18(26)24-14-7-8-23-17(25)10-14/h5-6,9,12,14H,1-4,7-8,10-11H2,(H,23,25)(H,24,26).
What are the key properties of 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 384.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 112500174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).