1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one

C14H21NOS — CID 110289429

IUPAC1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C14H21NOS/c1-2-4-14(16)15-8-6-12(7-9-15)11-13-5-3-10-17-13/h3,5,10,12H,2,4,6-9,11H2,1H3
InChIKeyCQTVJKLVANKNDR-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.33
Rot. Bonds4

About 1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one

1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one (PubChem CID 110289429) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
PubChem CID110289429
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C14H21NOS/c1-2-4-14(16)15-8-6-12(7-9-15)11-13-5-3-10-17-13/h3,5,10,12H,2,4,6-9,11H2,1H3
InChIKeyCQTVJKLVANKNDR-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperidin-1-yl]propyl]acetamide
CID 110354371
2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289456
2-(4-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289457
2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289470
2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628471
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628442
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 80552497
(4-bromophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 110289447
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
(3,4-difluorophenyl)-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 110289472

Frequently Asked Questions

What is the IUPAC name of 1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one (CID 110289429) is 1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(Cc2cccs2)CC1.
What is the InChIKey of 1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one?
The InChIKey is CQTVJKLVANKNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-4-14(16)15-8-6-12(7-9-15)11-13-5-3-10-17-13/h3,5,10,12H,2,4,6-9,11H2,1H3.
What are the key properties of 1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one?
1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one has a molecular weight of 251.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110289429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).