N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide

C13H22F3N3O — CID 60856490

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)C1CCCCN1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)9-19-6-4-10(8-19)7-18-12(20)11-3-1-2-5-17-11/h10-11,17H,1-9H2,(H,18,20)
InChIKeyGPMFOUXZBOAXRK-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.13
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide (PubChem CID 60856490) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide
PubChem CID60856490
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)C1CCCCN1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)9-19-6-4-10(8-19)7-18-12(20)11-3-1-2-5-17-11/h10-11,17H,1-9H2,(H,18,20)
InChIKeyGPMFOUXZBOAXRK-UHFFFAOYSA-N
XLogP1.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide (CID 60856490) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)C1CCCCN1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide?
The InChIKey is GPMFOUXZBOAXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c14-13(15,16)9-19-6-4-10(8-19)7-18-12(20)11-3-1-2-5-17-11/h10-11,17H,1-9H2,(H,18,20).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 60856490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).