2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone

C23H35N3O2S — CID 46152863

IUPAC2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
SMILESCC1CCN(C(=O)C(C2CCCC2)N2CCN(C(=O)Cc3cccs3)CC2)CC1
InChIInChI=1S/C23H35N3O2S/c1-18-8-10-26(11-9-18)23(28)22(19-5-2-3-6-19)25-14-12-24(13-15-25)21(27)17-20-7-4-16-29-20/h4,7,16,18-19,22H,2-3,5-6,8-15,17H2,1H3
InChIKeyGAFPGANLHUGKOQ-UHFFFAOYSA-N
MW417.62 g/mol
LogP3.25
Rot. Bonds5

About 2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone

2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone (PubChem CID 46152863) has the molecular formula C23H35N3O2S and a molecular weight of 417.62 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
PubChem CID46152863
Molecular FormulaC23H35N3O2S
Molecular Weight417.62 g/mol
Exact Mass417.24
IUPAC Name2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
SMILESCC1CCN(C(=O)C(C2CCCC2)N2CCN(C(=O)Cc3cccs3)CC2)CC1
InChIInChI=1S/C23H35N3O2S/c1-18-8-10-26(11-9-18)23(28)22(19-5-2-3-6-19)25-14-12-24(13-15-25)21(27)17-20-7-4-16-29-20/h4,7,16,18-19,22H,2-3,5-6,8-15,17H2,1H3
InChIKeyGAFPGANLHUGKOQ-UHFFFAOYSA-N
XLogP3.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.62
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

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US10875851, Example 99
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1-cyclopropyl-4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-2-one
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1-[4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonyl)piperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone (CID 46152863) is 2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone is CC1CCN(C(=O)C(C2CCCC2)N2CCN(C(=O)Cc3cccs3)CC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone?
The InChIKey is GAFPGANLHUGKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2S/c1-18-8-10-26(11-9-18)23(28)22(19-5-2-3-6-19)25-14-12-24(13-15-25)21(27)17-20-7-4-16-29-20/h4,7,16,18-19,22H,2-3,5-6,8-15,17H2,1H3.
What are the key properties of 2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone?
2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone has a molecular weight of 417.62 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 46152863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).