[3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone

C18H21NO2S — CID 46028801

IUPAC[3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccccc1COC1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C18H21NO2S/c1-14-6-2-3-7-15(14)13-21-16-8-4-10-19(12-16)18(20)17-9-5-11-22-17/h2-3,5-7,9,11,16H,4,8,10,12-13H2,1H3
InChIKeyCWFIHDKBHVGPTH-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.88
Rot. Bonds4

About [3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone

[3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 46028801) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is [3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID46028801
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name[3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccccc1COC1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C18H21NO2S/c1-14-6-2-3-7-15(14)13-21-16-8-4-10-19(12-16)18(20)17-9-5-11-22-17/h2-3,5-7,9,11,16H,4,8,10,12-13H2,1H3
InChIKeyCWFIHDKBHVGPTH-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone (CID 46028801) is [3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone is Cc1ccccc1COC1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of [3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is CWFIHDKBHVGPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-6-2-3-7-15(14)13-21-16-8-4-10-19(12-16)18(20)17-9-5-11-22-17/h2-3,5-7,9,11,16H,4,8,10,12-13H2,1H3.
What are the key properties of [3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone?
[3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 315.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylphenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 46028801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).