1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C15H24N2O2S — CID 70739243

IUPAC1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCOCCCC1CCCCN1C(=O)Cc1csc(C)n1
InChIInChI=1S/C15H24N2O2S/c1-12-16-13(11-20-12)10-15(18)17-8-4-3-6-14(17)7-5-9-19-2/h11,14H,3-10H2,1-2H3
InChIKeyRVLYQQFQOUYPRH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.80
Rot. Bonds6

About 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 70739243) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID70739243
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCOCCCC1CCCCN1C(=O)Cc1csc(C)n1
InChIInChI=1S/C15H24N2O2S/c1-12-16-13(11-20-12)10-15(18)17-8-4-3-6-14(17)7-5-9-19-2/h11,14H,3-10H2,1-2H3
InChIKeyRVLYQQFQOUYPRH-UHFFFAOYSA-N
XLogP2.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)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-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 70739243) is 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is COCCCC1CCCCN1C(=O)Cc1csc(C)n1.
What is the InChIKey of 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is RVLYQQFQOUYPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-16-13(11-20-12)10-15(18)17-8-4-3-6-14(17)7-5-9-19-2/h11,14H,3-10H2,1-2H3.
What are the key properties of 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 296.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 70739243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).