3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione

C23H34N4O3 — CID 69433556

IUPAC3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(C)cc1N1CCN(CCCN2C(=O)CC(C)(NC3CC3)C2=O)CC1
InChIInChI=1S/C23H34N4O3/c1-17-5-8-20(30-3)19(15-17)26-13-11-25(12-14-26)9-4-10-27-21(28)16-23(2,22(27)29)24-18-6-7-18/h5,8,15,18,24H,4,6-7,9-14,16H2,1-3H3
InChIKeyUJFVCXHRVVINQE-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.79
Rot. Bonds8

About 3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione

3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 69433556) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione
PubChem CID69433556
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(C)cc1N1CCN(CCCN2C(=O)CC(C)(NC3CC3)C2=O)CC1
InChIInChI=1S/C23H34N4O3/c1-17-5-8-20(30-3)19(15-17)26-13-11-25(12-14-26)9-4-10-27-21(28)16-23(2,22(27)29)24-18-6-7-18/h5,8,15,18,24H,4,6-7,9-14,16H2,1-3H3
InChIKeyUJFVCXHRVVINQE-UHFFFAOYSA-N
XLogP1.79
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.79
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

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
1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3,3,4-trimethylpyrrolidine-2,5-dione
CID 11502029
3-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione;hydrochloride
CID 69079694
1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 11440314
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
1-(2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
CID 43315083
3-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride
CID 69439841
1-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 70207167
8-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione;dihydrochloride
CID 24833962
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
5-fluoro-2-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 69075403

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione (CID 69433556) is 3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione is COc1ccc(C)cc1N1CCN(CCCN2C(=O)CC(C)(NC3CC3)C2=O)CC1.
What is the InChIKey of 3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is UJFVCXHRVVINQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-17-5-8-20(30-3)19(15-17)26-13-11-25(12-14-26)9-4-10-27-21(28)16-23(2,22(27)29)24-18-6-7-18/h5,8,15,18,24H,4,6-7,9-14,16H2,1-3H3.
What are the key properties of 3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione?
3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 414.55 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[3-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]propyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 69433556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).