1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one

C19H29N3O2S — CID 45237800

IUPAC1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one
SMILESCN1CCN(C(=O)CCC2CCCN(C(=O)Cc3cccs3)C2)CC1
InChIInChI=1S/C19H29N3O2S/c1-20-9-11-21(12-10-20)18(23)7-6-16-4-2-8-22(15-16)19(24)14-17-5-3-13-25-17/h3,5,13,16H,2,4,6-12,14-15H2,1H3
InChIKeyGLUXWIMVNWIJTG-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.08
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one

1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one (PubChem CID 45237800) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one
PubChem CID45237800
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one
SMILESCN1CCN(C(=O)CCC2CCCN(C(=O)Cc3cccs3)C2)CC1
InChIInChI=1S/C19H29N3O2S/c1-20-9-11-21(12-10-20)18(23)7-6-16-4-2-8-22(15-16)19(24)14-17-5-3-13-25-17/h3,5,13,16H,2,4,6-12,14-15H2,1H3
InChIKeyGLUXWIMVNWIJTG-UHFFFAOYSA-N
XLogP2.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one with MolForge

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Related Compounds

[(S)-3-(Pyrrolidine-1-carbonyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-((1R,2S)-2-thiophen-2-yl-cyclopropyl)-methanone
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2-(Cyclopentylthio)-1-(4-(2-(thiophen-2-yl)cyclopropanecarbonyl)piperazin-1-yl)ethanone
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1-(4-Methylpiperazin-1-yl)-4-(thiophen-2-yl)butan-1-one
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1-(4-Benzylpiperidin-1-yl)-2-(thiophen-2-yl)ethanone
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3-Cyclopentyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 717199
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Cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 2818006
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)cyclohexanecarboxamide
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1-(4-(2-(4-Fluorophenyl)cyclopropanecarbonyl)piperazin-1-yl)-2-(thiophen-2-yl)ethanone
CID 45587909
1-(2-Azaspiro[5.5]undecan-2-yl)-2-(thiophen-2-yl)ethanone
CID 54585849
2-(4-Fluorophenyl)-1-(4-(thiophen-2-yl)piperidin-1-yl)ethanone
CID 71786850
1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one (CID 45237800) is 1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one is CN1CCN(C(=O)CCC2CCCN(C(=O)Cc3cccs3)C2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one?
The InChIKey is GLUXWIMVNWIJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-20-9-11-21(12-10-20)18(23)7-6-16-4-2-8-22(15-16)19(24)14-17-5-3-13-25-17/h3,5,13,16H,2,4,6-12,14-15H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one?
1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one has a molecular weight of 363.53 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propan-1-one is sourced from PubChem (CID 45237800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).