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

C14H24F3N3O — CID 144898859

IUPACN-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN1CCC(C2CCCN2C(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O/c1-18-8-5-11(6-9-18)12-4-3-7-20(12)13(21)19(2)10-14(15,16)17/h11-12H,3-10H2,1-2H3
InChIKeyHYQWHRMIJDZGNY-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.41
Rot. Bonds2

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

N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 144898859) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID144898859
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC NameN-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN1CCC(C2CCCN2C(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O/c1-18-8-5-11(6-9-18)12-4-3-7-20(12)13(21)19(2)10-14(15,16)17/h11-12H,3-10H2,1-2H3
InChIKeyHYQWHRMIJDZGNY-UHFFFAOYSA-N
XLogP2.41
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 144898859) is N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CN1CCC(C2CCCN2C(=O)N(C)CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is HYQWHRMIJDZGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-18-8-5-11(6-9-18)12-4-3-7-20(12)13(21)19(2)10-14(15,16)17/h11-12H,3-10H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 144898859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).