N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide

C17H26F3N3O3 — CID 165431543

IUPACN-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCN(C2CCN(CC(F)(F)F)C2=O)C1
InChIInChI=1S/C17H26F3N3O3/c18-17(19,20)11-23-7-3-14(16(23)25)22-6-1-2-12(10-22)15(24)21-13-4-8-26-9-5-13/h12-14H,1-11H2,(H,21,24)
InChIKeyGBXSKNZZEPFRAH-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.16
Rot. Bonds4

About N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide

N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide (PubChem CID 165431543) has the molecular formula C17H26F3N3O3 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide
PubChem CID165431543
Molecular FormulaC17H26F3N3O3
Molecular Weight377.41 g/mol
Exact Mass377.19
IUPAC NameN-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCN(C2CCN(CC(F)(F)F)C2=O)C1
InChIInChI=1S/C17H26F3N3O3/c18-17(19,20)11-23-7-3-14(16(23)25)22-6-1-2-12(10-22)15(24)21-13-4-8-26-9-5-13/h12-14H,1-11H2,(H,21,24)
InChIKeyGBXSKNZZEPFRAH-UHFFFAOYSA-N
XLogP1.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide (CID 165431543) is N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide is O=C(NC1CCOCC1)C1CCCN(C2CCN(CC(F)(F)F)C2=O)C1.
What is the InChIKey of N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide?
The InChIKey is GBXSKNZZEPFRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O3/c18-17(19,20)11-23-7-3-14(16(23)25)22-6-1-2-12(10-22)15(24)21-13-4-8-26-9-5-13/h12-14H,1-11H2,(H,21,24).
What are the key properties of N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide?
N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 165431543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).