1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone

C15H23F3N2O2S — CID 55662238

IUPAC1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CSC(F)(F)F)CC2)C1
InChIInChI=1S/C15H23F3N2O2S/c1-11-3-2-6-20(9-11)14(22)12-4-7-19(8-5-12)13(21)10-23-15(16,17)18/h11-12H,2-10H2,1H3
InChIKeyRUGQPWANPHZXIR-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.74
Rot. Bonds3

About 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone

1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone (PubChem CID 55662238) has the molecular formula C15H23F3N2O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
PubChem CID55662238
Molecular FormulaC15H23F3N2O2S
Molecular Weight352.42 g/mol
Exact Mass352.14
IUPAC Name1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CSC(F)(F)F)CC2)C1
InChIInChI=1S/C15H23F3N2O2S/c1-11-3-2-6-20(9-11)14(22)12-4-7-19(8-5-12)13(21)10-23-15(16,17)18/h11-12H,2-10H2,1H3
InChIKeyRUGQPWANPHZXIR-UHFFFAOYSA-N
XLogP2.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone 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-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone?
The IUPAC name of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone (CID 55662238) is 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone.
What is the SMILES notation for 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone?
The canonical SMILES for 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone is CC1CCCN(C(=O)C2CCN(C(=O)CSC(F)(F)F)CC2)C1.
What is the InChIKey of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone?
The InChIKey is RUGQPWANPHZXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O2S/c1-11-3-2-6-20(9-11)14(22)12-4-7-19(8-5-12)13(21)10-23-15(16,17)18/h11-12H,2-10H2,1H3.
What are the key properties of 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone?
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone has a molecular weight of 352.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone is sourced from PubChem (CID 55662238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).