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

C25H29N3O3 — CID 2927499

IUPAC1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCN(C4CCc5ccccc5C4)CC3)C2=O)cc1
InChIInChI=1S/C25H29N3O3/c1-31-22-10-8-20(9-11-22)28-24(29)17-23(25(28)30)27-14-12-26(13-15-27)21-7-6-18-4-2-3-5-19(18)16-21/h2-5,8-11,21,23H,6-7,12-17H2,1H3
InChIKeyBWNOUZJRXJKPTO-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.50
Rot. Bonds4

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

1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2927499) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2927499
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCN(C4CCc5ccccc5C4)CC3)C2=O)cc1
InChIInChI=1S/C25H29N3O3/c1-31-22-10-8-20(9-11-22)28-24(29)17-23(25(28)30)27-14-12-26(13-15-27)21-7-6-18-4-2-3-5-19(18)16-21/h2-5,8-11,21,23H,6-7,12-17H2,1H3
InChIKeyBWNOUZJRXJKPTO-UHFFFAOYSA-N
XLogP2.50
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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3-[Benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2839652
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CID 2877755
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CID 10500792
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3-(3,4-dihydro-2(1H)-isoquinolinyl)-1-(3-methoxyphenyl)-2,5-pyrrolidinedione
CID 3695414
(10aS)-2-(4-methoxyphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 660129
3-{4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 2927499) is 1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(N3CCN(C4CCc5ccccc5C4)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is BWNOUZJRXJKPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-31-22-10-8-20(9-11-22)28-24(29)17-23(25(28)30)27-14-12-26(13-15-27)21-7-6-18-4-2-3-5-19(18)16-21/h2-5,8-11,21,23H,6-7,12-17H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 419.53 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2927499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).