3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione

C24H35FN4O3 — CID 11178334

IUPAC3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione
SMILESCC(C)Oc1c(F)cccc1N1CCN(CCCN2C(=O)C(C)C(NC3CC3)C2=O)CC1
InChIInChI=1S/C24H35FN4O3/c1-16(2)32-22-19(25)6-4-7-20(22)28-14-12-27(13-15-28)10-5-11-29-23(30)17(3)21(24(29)31)26-18-8-9-18/h4,6-7,16-18,21,26H,5,8-15H2,1-3H3
InChIKeyQJUGSLPAGDRMHN-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.25
Rot. Bonds9

About 3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione

3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione (PubChem CID 11178334) has the molecular formula C24H35FN4O3 and a molecular weight of 446.57 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione
PubChem CID11178334
Molecular FormulaC24H35FN4O3
Molecular Weight446.57 g/mol
Exact Mass446.27
IUPAC Name3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione
SMILESCC(C)Oc1c(F)cccc1N1CCN(CCCN2C(=O)C(C)C(NC3CC3)C2=O)CC1
InChIInChI=1S/C24H35FN4O3/c1-16(2)32-22-19(25)6-4-7-20(22)28-14-12-27(13-15-28)10-5-11-29-23(30)17(3)21(24(29)31)26-18-8-9-18/h4,6-7,16-18,21,26H,5,8-15H2,1-3H3
InChIKeyQJUGSLPAGDRMHN-UHFFFAOYSA-N
XLogP2.25
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.25
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-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 11430348
3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one
CID 90948221
3-(cyclopropylamino)-1-[3-[4-(6-methoxy-1-methylcyclohexa-2,4-dien-1-yl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione
CID 69436819
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-(cyclopropylmethylamino)-1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione;hydrochloride
CID 69439841
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
3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 69433853
(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
1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 11440314
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
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
CID 11315538
but-2-enedioic acid;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
CID 69407712

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione (CID 11178334) is 3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione is CC(C)Oc1c(F)cccc1N1CCN(CCCN2C(=O)C(C)C(NC3CC3)C2=O)CC1.
What is the InChIKey of 3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione?
The InChIKey is QJUGSLPAGDRMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O3/c1-16(2)32-22-19(25)6-4-7-20(22)28-14-12-27(13-15-28)10-5-11-29-23(30)17(3)21(24(29)31)26-18-8-9-18/h4,6-7,16-18,21,26H,5,8-15H2,1-3H3.
What are the key properties of 3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione?
3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione has a molecular weight of 446.57 g/mol, XLogP of 2.25, 9 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-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 11178334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).