3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride

C18H28ClN3O2S — CID 119740795

IUPAC3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCN(C(=O)c2ccsc2)CC1)C1CCCNC1.Cl
InChIInChI=1S/C18H27N3O2S.ClH/c1-14(15-3-2-5-19-12-15)11-17(22)20-6-8-21(9-7-20)18(23)16-4-10-24-13-16;/h4,10,13-15,19H,2-3,5-9,11-12H2,1H3;1H
InChIKeyIBAZJJXTVPGKHC-UHFFFAOYSA-N
MW385.96 g/mol
LogP2.48
Rot. Bonds4

About 3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride

3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride (PubChem CID 119740795) has the molecular formula C18H28ClN3O2S and a molecular weight of 385.96 g/mol. Its IUPAC name is 3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
PubChem CID119740795
Molecular FormulaC18H28ClN3O2S
Molecular Weight385.96 g/mol
Exact Mass385.16
IUPAC Name3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCN(C(=O)c2ccsc2)CC1)C1CCCNC1.Cl
InChIInChI=1S/C18H27N3O2S.ClH/c1-14(15-3-2-5-19-12-15)11-17(22)20-6-8-21(9-7-20)18(23)16-4-10-24-13-16;/h4,10,13-15,19H,2-3,5-9,11-12H2,1H3;1H
InChIKeyIBAZJJXTVPGKHC-UHFFFAOYSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.96
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride with MolForge

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Related Compounds

1-[4-(4-nitrobenzoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119799618
1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119703462
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-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119831323
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119700097
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119724457
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119740240

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride (CID 119740795) is 3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride is CC(CC(=O)N1CCN(C(=O)c2ccsc2)CC1)C1CCCNC1.Cl.
What is the InChIKey of 3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride?
The InChIKey is IBAZJJXTVPGKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S.ClH/c1-14(15-3-2-5-19-12-15)11-17(22)20-6-8-21(9-7-20)18(23)16-4-10-24-13-16;/h4,10,13-15,19H,2-3,5-9,11-12H2,1H3;1H.
What are the key properties of 3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride?
3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride has a molecular weight of 385.96 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119740795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).