N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H23F3N2O2 — CID 109479073

IUPACN-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCC(CCO)NC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-2-11(5-7-19)17-12(20)10-4-3-6-18(8-10)9-13(14,15)16/h10-11,19H,2-9H2,1H3,(H,17,20)
InChIKeyQXTPFOPQXFWJAV-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.54
Rot. Bonds6

About N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 109479073) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID109479073
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCC(CCO)NC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-2-11(5-7-19)17-12(20)10-4-3-6-18(8-10)9-13(14,15)16/h10-11,19H,2-9H2,1H3,(H,17,20)
InChIKeyQXTPFOPQXFWJAV-UHFFFAOYSA-N
XLogP1.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 109479073) is N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCC(CCO)NC(=O)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is QXTPFOPQXFWJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-2-11(5-7-19)17-12(20)10-4-3-6-18(8-10)9-13(14,15)16/h10-11,19H,2-9H2,1H3,(H,17,20).
What are the key properties of N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 109479073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).