1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

C14H19F3N2O2 — CID 101287749

IUPAC1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(=O)N1C=C(C2CCCCN2C(=O)C(F)(F)F)CCC1
InChIInChI=1S/C14H19F3N2O2/c1-10(20)18-7-4-5-11(9-18)12-6-2-3-8-19(12)13(21)14(15,16)17/h9,12H,2-8H2,1H3
InChIKeyXSMMNODQWKBIHS-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.46
Rot. Bonds1

About 1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 101287749) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID101287749
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(=O)N1C=C(C2CCCCN2C(=O)C(F)(F)F)CCC1
InChIInChI=1S/C14H19F3N2O2/c1-10(20)18-7-4-5-11(9-18)12-6-2-3-8-19(12)13(21)14(15,16)17/h9,12H,2-8H2,1H3
InChIKeyXSMMNODQWKBIHS-UHFFFAOYSA-N
XLogP2.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 101287749) is 1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is CC(=O)N1C=C(C2CCCCN2C(=O)C(F)(F)F)CCC1.
What is the InChIKey of 1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is XSMMNODQWKBIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10(20)18-7-4-5-11(9-18)12-6-2-3-8-19(12)13(21)14(15,16)17/h9,12H,2-8H2,1H3.
What are the key properties of 1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 304.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-acetyl-3,4-dihydro-2H-pyridin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 101287749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).