N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C13H18F3N3O — CID 62715231

IUPACN-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C13H18F3N3O/c1-18(9-13(14,15)16)12(20)11-3-2-8-19(11)10-4-6-17-7-5-10/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyNUURNHRENRCJQJ-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.05
Rot. Bonds3

About N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 62715231) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID62715231
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C13H18F3N3O/c1-18(9-13(14,15)16)12(20)11-3-2-8-19(11)10-4-6-17-7-5-10/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyNUURNHRENRCJQJ-UHFFFAOYSA-N
XLogP2.05
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 62715231) is N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is CN(CC(F)(F)F)C(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is NUURNHRENRCJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-18(9-13(14,15)16)12(20)11-3-2-8-19(11)10-4-6-17-7-5-10/h2-3,8,10,17H,4-7,9H2,1H3.
What are the key properties of N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 62715231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).