1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione

C24H33N3O3 — CID 45174557

IUPAC1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione
SMILESCN1CCN(C(=O)CC2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)CC1
InChIInChI=1S/C24H33N3O3/c1-25-12-14-26(15-13-25)21(28)16-24(20-10-6-3-7-11-20)17-22(29)27(23(24)30)18-19-8-4-2-5-9-19/h3,6-7,10-11,19H,2,4-5,8-9,12-18H2,1H3
InChIKeySFBLOUIBCLXCAT-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.43
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione

1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione (PubChem CID 45174557) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione
PubChem CID45174557
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione
SMILESCN1CCN(C(=O)CC2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)CC1
InChIInChI=1S/C24H33N3O3/c1-25-12-14-26(15-13-25)21(28)16-24(20-10-6-3-7-11-20)17-22(29)27(23(24)30)18-19-8-4-2-5-9-19/h3,6-7,10-11,19H,2,4-5,8-9,12-18H2,1H3
InChIKeySFBLOUIBCLXCAT-UHFFFAOYSA-N
XLogP2.43
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione (CID 45174557) is 1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione is CN1CCN(C(=O)CC2(c3ccccc3)CC(=O)N(CC3CCCCC3)C2=O)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is SFBLOUIBCLXCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-25-12-14-26(15-13-25)21(28)16-24(20-10-6-3-7-11-20)17-22(29)27(23(24)30)18-19-8-4-2-5-9-19/h3,6-7,10-11,19H,2,4-5,8-9,12-18H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione?
1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 411.55 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 45174557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).