2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H21F3N2O2 — CID 65156956

IUPAC2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CCCO1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-18(10-3-5-17-6-4-10)12(19)8-11-2-1-7-20-11/h10-11,17H,1-9H2
InChIKeyBHTYTQCPJCEXRD-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.70
Rot. Bonds4

About 2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide

2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 65156956) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID65156956
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CCCO1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-18(10-3-5-17-6-4-10)12(19)8-11-2-1-7-20-11/h10-11,17H,1-9H2
InChIKeyBHTYTQCPJCEXRD-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 65156956) is 2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1CCCO1)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BHTYTQCPJCEXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)9-18(10-3-5-17-6-4-10)12(19)8-11-2-1-7-20-11/h10-11,17H,1-9H2.
What are the key properties of 2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 294.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 65156956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).