[5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone

C16H25NO3S — CID 70726454

IUPAC[5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCN(C(=O)c2ccc(COC)s2)C1
InChIInChI=1S/C16H25NO3S/c1-19-10-4-6-13-5-3-9-17(11-13)16(18)15-8-7-14(21-15)12-20-2/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyCBAYCSWXACKHRO-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.17
Rot. Bonds7

About [5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone

[5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 70726454) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is [5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID70726454
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name[5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCCC1CCCN(C(=O)c2ccc(COC)s2)C1
InChIInChI=1S/C16H25NO3S/c1-19-10-4-6-13-5-3-9-17(11-13)16(18)15-8-7-14(21-15)12-20-2/h7-8,13H,3-6,9-12H2,1-2H3
InChIKeyCBAYCSWXACKHRO-UHFFFAOYSA-N
XLogP3.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone 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 [5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone (CID 70726454) is [5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone is COCCCC1CCCN(C(=O)c2ccc(COC)s2)C1.
What is the InChIKey of [5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is CBAYCSWXACKHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-19-10-4-6-13-5-3-9-17(11-13)16(18)15-8-7-14(21-15)12-20-2/h7-8,13H,3-6,9-12H2,1-2H3.
What are the key properties of [5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone?
[5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 311.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)thiophen-2-yl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70726454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).