3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione

C24H38N4O3 — CID 11430348

IUPAC3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESCC(C)NC1C(=O)N(CCCN2CCN(c3ccccc3OC(C)C)CC2)C(=O)C1C
InChIInChI=1S/C24H38N4O3/c1-17(2)25-22-19(5)23(29)28(24(22)30)12-8-11-26-13-15-27(16-14-26)20-9-6-7-10-21(20)31-18(3)4/h6-7,9-10,17-19,22,25H,8,11-16H2,1-5H3
InChIKeyOQOCSWRPPZZJOY-UHFFFAOYSA-N
MW430.59 g/mol
LogP2.36
Rot. Bonds9

About 3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione

3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione (PubChem CID 11430348) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
PubChem CID11430348
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESCC(C)NC1C(=O)N(CCCN2CCN(c3ccccc3OC(C)C)CC2)C(=O)C1C
InChIInChI=1S/C24H38N4O3/c1-17(2)25-22-19(5)23(29)28(24(22)30)12-8-11-26-13-15-27(16-14-26)20-9-6-7-10-21(20)31-18(3)4/h6-7,9-10,17-19,22,25H,8,11-16H2,1-5H3
InChIKeyOQOCSWRPPZZJOY-UHFFFAOYSA-N
XLogP2.36
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butanedioic acid;5-fluoro-6-hydroxy-2-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 15985805
(Z)-but-2-enedioic acid;5-fluoro-6-hydroxy-2-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 15985417
3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione
CID 11178334
12-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-12-azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione;hydrochloride
CID 11670583
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
3-[cyclopropyl(methyl)amino]-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione
CID 11374596
3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 69433853
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
CID 11315538
5-fluoro-2-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;phosphoric acid
CID 69408563
6-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;hydrochloride
CID 10434667
2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 69078029
3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 69432939

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione (CID 11430348) is 3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione is CC(C)NC1C(=O)N(CCCN2CCN(c3ccccc3OC(C)C)CC2)C(=O)C1C.
What is the InChIKey of 3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The InChIKey is OQOCSWRPPZZJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-17(2)25-22-19(5)23(29)28(24(22)30)12-8-11-26-13-15-27(16-14-26)20-9-6-7-10-21(20)31-18(3)4/h6-7,9-10,17-19,22,25H,8,11-16H2,1-5H3.
What are the key properties of 3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione has a molecular weight of 430.59 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11430348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).