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

C13H25ClN2OS — CID 119705171

IUPAC3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCSCC1)C1CCCNC1.Cl
InChIInChI=1S/C13H24N2OS.ClH/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;1H
InChIKeyWCIUXTYOLQICIQ-UHFFFAOYSA-N
MW292.88 g/mol
LogP2.01
Rot. Bonds3

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

3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride (PubChem CID 119705171) has the molecular formula C13H25ClN2OS and a molecular weight of 292.88 g/mol. Its IUPAC name is 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
PubChem CID119705171
Molecular FormulaC13H25ClN2OS
Molecular Weight292.88 g/mol
Exact Mass292.14
IUPAC Name3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCSCC1)C1CCCNC1.Cl
InChIInChI=1S/C13H24N2OS.ClH/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;1H
InChIKeyWCIUXTYOLQICIQ-UHFFFAOYSA-N
XLogP2.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.88
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
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-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119715757
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119765244
1-(4-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043935
1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043600
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride?
The IUPAC name of 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride (CID 119705171) is 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride?
The canonical SMILES for 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride is CC(CC(=O)N1CCSCC1)C1CCCNC1.Cl.
What is the InChIKey of 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride?
The InChIKey is WCIUXTYOLQICIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS.ClH/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;1H.
What are the key properties of 3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride?
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride has a molecular weight of 292.88 g/mol, XLogP of 2.01, 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;hydrochloride is sourced from PubChem (CID 119705171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).