3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione

C27H26N2O2 — CID 110580030

IUPAC3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCCCC3)C(=O)N(c3cccc4ccccc34)C2=O)c(C)c1
InChIInChI=1S/C27H26N2O2/c1-18-13-14-21(19(2)17-18)24-25(28-15-6-3-7-16-28)27(31)29(26(24)30)23-12-8-10-20-9-4-5-11-22(20)23/h4-5,8-14,17H,3,6-7,15-16H2,1-2H3
InChIKeyPBCXWXAOZSLKTO-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.23
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione

3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110580030) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110580030
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCCCC3)C(=O)N(c3cccc4ccccc34)C2=O)c(C)c1
InChIInChI=1S/C27H26N2O2/c1-18-13-14-21(19(2)17-18)24-25(28-15-6-3-7-16-28)27(31)29(26(24)30)23-12-8-10-20-9-4-5-11-22(20)23/h4-5,8-14,17H,3,6-7,15-16H2,1-2H3
InChIKeyPBCXWXAOZSLKTO-UHFFFAOYSA-N
XLogP5.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110574193
1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110580594
3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110579398
1-(2-chlorophenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110580567
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557771
3-(2,4-dimethylphenyl)-1-(2-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110579487
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557775
3-(2,4-dimethylphenyl)-1-(2-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110580391
3-(2,4-dimethylphenyl)-4-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110579448
1,3-bis(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110580300
1-(3,4-difluorophenyl)-3-(2,4-dimethylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110580440
3-(2,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110579648

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione (CID 110580030) is 3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione is Cc1ccc(C2=C(N3CCCCC3)C(=O)N(c3cccc4ccccc34)C2=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is PBCXWXAOZSLKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-18-13-14-21(19(2)17-18)24-25(28-15-6-3-7-16-28)27(31)29(26(24)30)23-12-8-10-20-9-4-5-11-22(20)23/h4-5,8-14,17H,3,6-7,15-16H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione?
3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 410.52 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110580030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).