1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione

C27H26N4O4 — CID 2981926

IUPAC1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5cccnc5)cc4)CC3)C2=O)cc1
InChIInChI=1S/C27H26N4O4/c1-35-23-10-8-22(9-11-23)31-25(32)17-24(27(31)34)30-15-13-29(14-16-30)21-6-4-19(5-7-21)26(33)20-3-2-12-28-18-20/h2-12,18,24H,13-17H2,1H3
InChIKeyWYRKRHMJHZIESP-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.78
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione

1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2981926) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2981926
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5cccnc5)cc4)CC3)C2=O)cc1
InChIInChI=1S/C27H26N4O4/c1-35-23-10-8-22(9-11-23)31-25(32)17-24(27(31)34)30-15-13-29(14-16-30)21-6-4-19(5-7-21)26(33)20-3-2-12-28-18-20/h2-12,18,24H,13-17H2,1H3
InChIKeyWYRKRHMJHZIESP-UHFFFAOYSA-N
XLogP2.78
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 5219821
6-(4-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 682662
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-3-yl)propanamide
CID 23648324
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
CID 23648325
5-N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
CID 57402801
N-[2-[(2S)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164616722
N-(4-methoxyphenyl)-1-(3-pyridinylcarbonyl)-3-piperidinamine
CID 24793000
6-(4-ethoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 3237849
1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 7087092
6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710384
N-(1-(4-aminobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710436
N-(1-(4-acetamidobenzyl) piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710516

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 2981926) is 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5cccnc5)cc4)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is WYRKRHMJHZIESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-35-23-10-8-22(9-11-23)31-25(32)17-24(27(31)34)30-15-13-29(14-16-30)21-6-4-19(5-7-21)26(33)20-3-2-12-28-18-20/h2-12,18,24H,13-17H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 470.53 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2981926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).