2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C13H22F3N3O — CID 118303133

IUPAC2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN1CCC(C2CCCN2C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O/c1-18-7-4-10(5-8-18)11-3-2-6-19(11)12(20)17-9-13(14,15)16/h10-11H,2-9H2,1H3,(H,17,20)
InChIKeyRUGBDOTYEQYLBM-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.06
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 118303133) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID118303133
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN1CCC(C2CCCN2C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O/c1-18-7-4-10(5-8-18)11-3-2-6-19(11)12(20)17-9-13(14,15)16/h10-11H,2-9H2,1H3,(H,17,20)
InChIKeyRUGBDOTYEQYLBM-UHFFFAOYSA-N
XLogP2.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 118303133) is 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CN1CCC(C2CCCN2C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is RUGBDOTYEQYLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-18-7-4-10(5-8-18)11-3-2-6-19(11)12(20)17-9-13(14,15)16/h10-11H,2-9H2,1H3,(H,17,20).
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118303133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).