N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C12H14F3N3O2 — CID 114609897

IUPACN-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESO=C1CCC(NC(=O)c2cccn2CC(F)(F)F)CN1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)7-18-5-1-2-9(18)11(20)17-8-3-4-10(19)16-6-8/h1-2,5,8H,3-4,6-7H2,(H,16,19)(H,17,20)
InChIKeyAZDJBGPDFBCPFW-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.06
Rot. Bonds3

About N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 114609897) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID114609897
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESO=C1CCC(NC(=O)c2cccn2CC(F)(F)F)CN1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)7-18-5-1-2-9(18)11(20)17-8-3-4-10(19)16-6-8/h1-2,5,8H,3-4,6-7H2,(H,16,19)(H,17,20)
InChIKeyAZDJBGPDFBCPFW-UHFFFAOYSA-N
XLogP1.06
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 114609897) is N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is O=C1CCC(NC(=O)c2cccn2CC(F)(F)F)CN1.
What is the InChIKey of N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is AZDJBGPDFBCPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)7-18-5-1-2-9(18)11(20)17-8-3-4-10(19)16-6-8/h1-2,5,8H,3-4,6-7H2,(H,16,19)(H,17,20).
What are the key properties of N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxopiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).