3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide

C17H20F3N3O2 — CID 119425956

IUPAC3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCNC1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)12-7-11(16(25)22-13-3-1-5-21-10-13)8-14(9-12)23-6-2-4-15(23)24/h7-9,13,21H,1-6,10H2,(H,22,25)
InChIKeyNAMAHHBXWGBMPH-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.31
Rot. Bonds3

About 3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide

3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide (PubChem CID 119425956) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide
PubChem CID119425956
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCNC1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O2/c18-17(19,20)12-7-11(16(25)22-13-3-1-5-21-10-13)8-14(9-12)23-6-2-4-15(23)24/h7-9,13,21H,1-6,10H2,(H,22,25)
InChIKeyNAMAHHBXWGBMPH-UHFFFAOYSA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide (CID 119425956) is 3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide is O=C(NC1CCCNC1)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide?
The InChIKey is NAMAHHBXWGBMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c18-17(19,20)12-7-11(16(25)22-13-3-1-5-21-10-13)8-14(9-12)23-6-2-4-15(23)24/h7-9,13,21H,1-6,10H2,(H,22,25).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide?
3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide has a molecular weight of 355.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 119425956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).