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

C13H22F3N3O — CID 123919640

IUPACN-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C13H22F3N3O/c1-18(9-13(14,15)16)12(20)19-8-2-3-11(19)10-4-6-17-7-5-10/h10-11,17H,2-9H2,1H3
InChIKeyBDXNYVMERBBULU-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.06
Rot. Bonds2

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

N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 123919640) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID123919640
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC NameN-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C13H22F3N3O/c1-18(9-13(14,15)16)12(20)19-8-2-3-11(19)10-4-6-17-7-5-10/h10-11,17H,2-9H2,1H3
InChIKeyBDXNYVMERBBULU-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 N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 123919640) is N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CN(CC(F)(F)F)C(=O)N1CCCC1C1CCNCC1.
What is the InChIKey of N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is BDXNYVMERBBULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-18(9-13(14,15)16)12(20)19-8-2-3-11(19)10-4-6-17-7-5-10/h10-11,17H,2-9H2,1H3.
What are the key properties of N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
N-methyl-2-piperidin-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 N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 123919640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).