3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one

C13H24N2OS — CID 81043728

IUPAC3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
SMILESCC(CC(=O)N1CCSCC1)C1CCCNC1
InChIInChI=1S/C13H24N2OS/c1-11(12-3-2-4-14-10-12)9-13(16)15-5-7-17-8-6-15/h11-12,14H,2-10H2,1H3
InChIKeyZVOVTSZKVUHWOX-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.59
Rot. Bonds3

About 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one

3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one (PubChem CID 81043728) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
PubChem CID81043728
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
SMILESCC(CC(=O)N1CCSCC1)C1CCCNC1
InChIInChI=1S/C13H24N2OS/c1-11(12-3-2-4-14-10-12)9-13(16)15-5-7-17-8-6-15/h11-12,14H,2-10H2,1H3
InChIKeyZVOVTSZKVUHWOX-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119765244
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
1-(4-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043935
1-(4,4-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119803712
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043600
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119715757
1-[4-(2-methoxyethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119838543

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one?
The IUPAC name of 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one (CID 81043728) is 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one.
What is the SMILES notation for 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one?
The canonical SMILES for 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one is CC(CC(=O)N1CCSCC1)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one?
The InChIKey is ZVOVTSZKVUHWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-11(12-3-2-4-14-10-12)9-13(16)15-5-7-17-8-6-15/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one?
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one has a molecular weight of 256.41 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one is sourced from PubChem (CID 81043728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).