4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one

C14H21NOS — CID 3072574

IUPAC4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one
SMILESCC1CCCN(CCCC(=O)c2cccs2)C1
InChIInChI=1S/C14H21NOS/c1-12-5-2-8-15(11-12)9-3-6-13(16)14-7-4-10-17-14/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3
InChIKeyUBNKZCQEMYHZCN-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.44
Rot. Bonds5

About 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one

4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one (PubChem CID 3072574) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one
PubChem CID3072574
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one
SMILESCC1CCCN(CCCC(=O)c2cccs2)C1
InChIInChI=1S/C14H21NOS/c1-12-5-2-8-15(11-12)9-3-6-13(16)14-7-4-10-17-14/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3
InChIKeyUBNKZCQEMYHZCN-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one (CID 3072574) is 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one is CC1CCCN(CCCC(=O)c2cccs2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one?
The InChIKey is UBNKZCQEMYHZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-12-5-2-8-15(11-12)9-3-6-13(16)14-7-4-10-17-14/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one?
4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one has a molecular weight of 251.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 3072574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).