1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione

C22H30N2O2S — CID 110553167

IUPAC1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC1CC(C)CN(C2=C(c3cccs3)C(=O)N(C3CCCCCC3)C2=O)C1
InChIInChI=1S/C22H30N2O2S/c1-15-12-16(2)14-23(13-15)20-19(18-10-7-11-27-18)21(25)24(22(20)26)17-8-5-3-4-6-9-17/h7,10-11,15-17H,3-6,8-9,12-14H2,1-2H3
InChIKeyCKBHIHPPNMMNSE-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.53
Rot. Bonds3

About 1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione

1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110553167) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110553167
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC1CC(C)CN(C2=C(c3cccs3)C(=O)N(C3CCCCCC3)C2=O)C1
InChIInChI=1S/C22H30N2O2S/c1-15-12-16(2)14-23(13-15)20-19(18-10-7-11-27-18)21(25)24(22(20)26)17-8-5-3-4-6-9-17/h7,10-11,15-17H,3-6,8-9,12-14H2,1-2H3
InChIKeyCKBHIHPPNMMNSE-UHFFFAOYSA-N
XLogP4.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-3-[3-(hydroxymethyl)piperidin-1-yl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553191
1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572638
1-cyclooctyl-3-(4-phenylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553211
1-cycloheptyl-3-(4-phenylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553176
1-cyclooctyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553213
1-cycloheptyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553170
3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583044
3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555320
1-(2,4-dimethylphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555196
1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553150
1-cycloheptyl-3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110568334
4-[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl]benzenesulfonamide
CID 110554637

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110553167) is 1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione is CC1CC(C)CN(C2=C(c3cccs3)C(=O)N(C3CCCCCC3)C2=O)C1.
What is the InChIKey of 1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is CKBHIHPPNMMNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-15-12-16(2)14-23(13-15)20-19(18-10-7-11-27-18)21(25)24(22(20)26)17-8-5-3-4-6-9-17/h7,10-11,15-17H,3-6,8-9,12-14H2,1-2H3.
What are the key properties of 1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 386.56 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(3,5-dimethylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110553167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).