1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone

C12H16ClNOS — CID 5095120

IUPAC1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C12H16ClNOS/c1-9-3-2-6-14(7-9)8-10(15)11-4-5-12(13)16-11/h4-5,9H,2-3,6-8H2,1H3
InChIKeyWOUGHQBONCWTKF-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.32
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone

1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone (PubChem CID 5095120) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone
PubChem CID5095120
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C12H16ClNOS/c1-9-3-2-6-14(7-9)8-10(15)11-4-5-12(13)16-11/h4-5,9H,2-3,6-8H2,1H3
InChIKeyWOUGHQBONCWTKF-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone (CID 5095120) is 1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(CC(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is WOUGHQBONCWTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-9-3-2-6-14(7-9)8-10(15)11-4-5-12(13)16-11/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 257.79 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 5095120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).