1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione

C29H31N3O4 — CID 165073619

IUPAC1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione
SMILESC=C1CCC(N2C(=O)C=C(Nc3cccc(C(C)(C)CC(=O)Cc4cccc(C)c4)c3)C2=O)C(=O)N1
InChIInChI=1S/C29H31N3O4/c1-18-7-5-8-20(13-18)14-23(33)17-29(3,4)21-9-6-10-22(15-21)31-24-16-26(34)32(28(24)36)25-12-11-19(2)30-27(25)35/h5-10,13,15-16,25,31H,2,11-12,14,17H2,1,3-4H3,(H,30,35)
InChIKeyZGPXUNBHSIKAQD-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.93
Rot. Bonds8

About 1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione

1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione (PubChem CID 165073619) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione
PubChem CID165073619
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC Name1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione
SMILESC=C1CCC(N2C(=O)C=C(Nc3cccc(C(C)(C)CC(=O)Cc4cccc(C)c4)c3)C2=O)C(=O)N1
InChIInChI=1S/C29H31N3O4/c1-18-7-5-8-20(13-18)14-23(33)17-29(3,4)21-9-6-10-22(15-21)31-24-16-26(34)32(28(24)36)25-12-11-19(2)30-27(25)35/h5-10,13,15-16,25,31H,2,11-12,14,17H2,1,3-4H3,(H,30,35)
InChIKeyZGPXUNBHSIKAQD-UHFFFAOYSA-N
XLogP3.93
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[4-(4-methylphenyl)-3-oxobutyl]anilino]pyrrole-2,5-dione
CID 165021621
1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-(3-oxo-4-phenylbutyl)anilino]pyrrole-2,5-dione
CID 164985332
tert-butyl N-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]methyl]-N-methylcarbamate
CID 168803116
3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-methylpropanamide
CID 146666744
1-(3-chloro-4-methylphenyl)-3-[[4-[[1-(6-methylidene-2-oxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]methyl]urea
CID 164988244
3-[3-[4-[3-(3-chloro-4-methylphenyl)-2-oxopropyl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 165005672
N-(4-chlorophenyl)-3-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]propanamide
CID 146627956
3-[3-[3-[6-(4-chloro-3-methylphenyl)-4-oxohexan-2-yl]anilino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 165071940
N-(3-chloro-4-methylphenyl)-2-[1-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropyl]acetamide
CID 166855592
2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-4-phenylbutyl)isoindole-1,3-dione
CID 157230699
[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxoisoindol-4-yl]methylcarbamic acid
CID 89387907
cis-(1R,2S)-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]cyclopropane-1-carboxamide
CID 166855352

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione (CID 165073619) is 1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione is C=C1CCC(N2C(=O)C=C(Nc3cccc(C(C)(C)CC(=O)Cc4cccc(C)c4)c3)C2=O)C(=O)N1.
What is the InChIKey of 1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione?
The InChIKey is ZGPXUNBHSIKAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-18-7-5-8-20(13-18)14-23(33)17-29(3,4)21-9-6-10-22(15-21)31-24-16-26(34)32(28(24)36)25-12-11-19(2)30-27(25)35/h5-10,13,15-16,25,31H,2,11-12,14,17H2,1,3-4H3,(H,30,35).
What are the key properties of 1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione?
1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione has a molecular weight of 485.58 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylidene-2-oxopiperidin-3-yl)-3-[3-[2-methyl-5-(3-methylphenyl)-4-oxopentan-2-yl]anilino]pyrrole-2,5-dione is sourced from PubChem (CID 165073619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).