3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione

C19H26N2O2S — CID 110552830

IUPAC3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C(c2cccs2)=C(N2CCC(C)CC2)C1=O
InChIInChI=1S/C19H26N2O2S/c1-3-4-5-10-21-18(22)16(15-7-6-13-24-15)17(19(21)23)20-11-8-14(2)9-12-20/h6-7,13-14H,3-5,8-12H2,1-2H3
InChIKeyJTBZODYUFTWUEH-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.75
Rot. Bonds6

About 3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione

3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110552830) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110552830
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C(c2cccs2)=C(N2CCC(C)CC2)C1=O
InChIInChI=1S/C19H26N2O2S/c1-3-4-5-10-21-18(22)16(15-7-6-13-24-15)17(19(21)23)20-11-8-14(2)9-12-20/h6-7,13-14H,3-5,8-12H2,1-2H3
InChIKeyJTBZODYUFTWUEH-UHFFFAOYSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxypropyl)-3-(4-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553613
1-octyl-3-piperidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553714
1-(2-methoxyethyl)-3-(4-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553048
3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552363
1-octyl-3,4-dithiophen-2-ylpyrrole-2,5-dione
CID 132937304
1-(furan-2-ylmethyl)-3-(4-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552639
3-(3,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione
CID 110548769
3-[3-(hydroxymethyl)piperidin-1-yl]-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552936
3-[4-(4-methylpiperidin-1-yl)anilino]-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590796
1-hexyl-3-(4-methylpiperidin-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541739
1-(3-ethoxypropyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553629
1-propyl-3-(4-pyridin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552922

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110552830) is 3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione is CCCCCN1C(=O)C(c2cccs2)=C(N2CCC(C)CC2)C1=O.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is JTBZODYUFTWUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-3-4-5-10-21-18(22)16(15-7-6-13-24-15)17(19(21)23)20-11-8-14(2)9-12-20/h6-7,13-14H,3-5,8-12H2,1-2H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione?
3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 346.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110552830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).