1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione

C23H31N3O2 — CID 110559613

IUPAC1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
SMILESCN1CCC(N(C)C2=C(c3ccccc3)C(=O)N(C3CCCCC3)C2=O)CC1
InChIInChI=1S/C23H31N3O2/c1-24-15-13-18(14-16-24)25(2)21-20(17-9-5-3-6-10-17)22(27)26(23(21)28)19-11-7-4-8-12-19/h3,5-6,9-10,18-19H,4,7-8,11-16H2,1-2H3
InChIKeyJRGRCFSVUMRROU-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.13
Rot. Bonds4

About 1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione

1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione (PubChem CID 110559613) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
PubChem CID110559613
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
SMILESCN1CCC(N(C)C2=C(c3ccccc3)C(=O)N(C3CCCCC3)C2=O)CC1
InChIInChI=1S/C23H31N3O2/c1-24-15-13-18(14-16-24)25(2)21-20(17-9-5-3-6-10-17)22(27)26(23(21)28)19-11-7-4-8-12-19/h3,5-6,9-10,18-19H,4,7-8,11-16H2,1-2H3
InChIKeyJRGRCFSVUMRROU-UHFFFAOYSA-N
XLogP3.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.13
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-cyclooctyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110559688
1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575343
N-[4-[1-cyclohexyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562799
1-[4-(dimethylamino)phenyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110558728
1-cyclohexyl-3-(2,4-dimethylphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110578697
1-cyclododecyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572710
1-cyclododecyl-3-(4-methylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559713
1-cyclohexyl-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110543947
1-(2,3-dimethylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110560986
N-[4-[3-[methyl-(1-methylpiperidin-4-yl)amino]-2,5-dioxo-4-phenylpyrrol-1-yl]phenyl]acetamide
CID 110561327
N-[4-[4-[methyl-(1-methylpiperidin-4-yl)amino]-2,5-dioxo-1-phenylpyrrol-3-yl]phenyl]acetamide
CID 110563448
3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione
CID 110547621

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione (CID 110559613) is 1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione is CN1CCC(N(C)C2=C(c3ccccc3)C(=O)N(C3CCCCC3)C2=O)CC1.
What is the InChIKey of 1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione?
The InChIKey is JRGRCFSVUMRROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-24-15-13-18(14-16-24)25(2)21-20(17-9-5-3-6-10-17)22(27)26(23(21)28)19-11-7-4-8-12-19/h3,5-6,9-10,18-19H,4,7-8,11-16H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione?
1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione has a molecular weight of 381.52 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110559613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).