1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C24H28N4O4 — CID 55824983

IUPAC1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC1CCc2[nH]c3c(C(=O)N4CCN(C(=O)CN5C(=O)CCC5=O)CC4)cccc3c2C1
InChIInChI=1S/C24H28N4O4/c1-15-5-6-19-18(13-15)16-3-2-4-17(23(16)25-19)24(32)27-11-9-26(10-12-27)22(31)14-28-20(29)7-8-21(28)30/h2-4,15,25H,5-14H2,1H3
InChIKeyNICHMMQCJQQXAA-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.73
Rot. Bonds3

About 1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 55824983) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID55824983
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC1CCc2[nH]c3c(C(=O)N4CCN(C(=O)CN5C(=O)CCC5=O)CC4)cccc3c2C1
InChIInChI=1S/C24H28N4O4/c1-15-5-6-19-18(13-15)16-3-2-4-17(23(16)25-19)24(32)27-11-9-26(10-12-27)22(31)14-28-20(29)7-8-21(28)30/h2-4,15,25H,5-14H2,1H3
InChIKeyNICHMMQCJQQXAA-UHFFFAOYSA-N
XLogP1.73
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 55824983) is 1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is CC1CCc2[nH]c3c(C(=O)N4CCN(C(=O)CN5C(=O)CCC5=O)CC4)cccc3c2C1.
What is the InChIKey of 1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is NICHMMQCJQQXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-15-5-6-19-18(13-15)16-3-2-4-17(23(16)25-19)24(32)27-11-9-26(10-12-27)22(31)14-28-20(29)7-8-21(28)30/h2-4,15,25H,5-14H2,1H3.
What are the key properties of 1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 436.51 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55824983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).