3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione

C26H40N4O3 — CID 69432939

IUPAC3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESCC(C)C(N)C1CC(=O)N(CCCN2CCN(c3ccccc3OC3CCCC3)CC2)C1=O
InChIInChI=1S/C26H40N4O3/c1-19(2)25(27)21-18-24(31)30(26(21)32)13-7-12-28-14-16-29(17-15-28)22-10-5-6-11-23(22)33-20-8-3-4-9-20/h5-6,10-11,19-21,25H,3-4,7-9,12-18,27H2,1-2H3
InChIKeyOQNODXLQVYNJII-UHFFFAOYSA-N
MW456.63 g/mol
LogP2.88
Rot. Bonds9

About 3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione

3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione (PubChem CID 69432939) has the molecular formula C26H40N4O3 and a molecular weight of 456.63 g/mol. Its IUPAC name is 3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
PubChem CID69432939
Molecular FormulaC26H40N4O3
Molecular Weight456.63 g/mol
Exact Mass456.31
IUPAC Name3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESCC(C)C(N)C1CC(=O)N(CCCN2CCN(c3ccccc3OC3CCCC3)CC2)C1=O
InChIInChI=1S/C26H40N4O3/c1-19(2)25(27)21-18-24(31)30(26(21)32)13-7-12-28-14-16-29(17-15-28)22-10-5-6-11-23(22)33-20-8-3-4-9-20/h5-6,10-11,19-21,25H,3-4,7-9,12-18,27H2,1-2H3
InChIKeyOQNODXLQVYNJII-UHFFFAOYSA-N
XLogP2.88
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 52.88
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

1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride
CID 69440985
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
2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-5-fluoro-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11691378
[7-acetyloxy-2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl] acetate
CID 11555810
2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11539770
3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 11430348
1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol
CID 91082184
but-2-enedioic acid;2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 69408070
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride
CID 69434763
[2-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-6-fluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-5-yl] dihydrogen phosphate
CID 15985660
3-(cyclobutylamino)-3-methyl-1-[3-[4-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride
CID 87832863

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione (CID 69432939) is 3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione is CC(C)C(N)C1CC(=O)N(CCCN2CCN(c3ccccc3OC3CCCC3)CC2)C1=O.
What is the InChIKey of 3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The InChIKey is OQNODXLQVYNJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O3/c1-19(2)25(27)21-18-24(31)30(26(21)32)13-7-12-28-14-16-29(17-15-28)22-10-5-6-11-23(22)33-20-8-3-4-9-20/h5-6,10-11,19-21,25H,3-4,7-9,12-18,27H2,1-2H3.
What are the key properties of 3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione has a molecular weight of 456.63 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 69432939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).