(6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one

C30H28N4O2 — CID 122600720

IUPAC(6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one
SMILESCc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccc5cc[nH]c5c4)[C@@H](Cc4ccccc4)C3)cc2c1
InChIInChI=1S/C30H28N4O2/c1-20-7-10-26-24(13-20)16-28(32-26)30(36)33-18-25(14-21-5-3-2-4-6-21)34(29(35)19-33)17-22-8-9-23-11-12-31-27(23)15-22/h2-13,15-16,25,31-32H,14,17-19H2,1H3/t25-/m0/s1
InChIKeyXZMPTHFNPIMGEX-VWLOTQADSA-N
MW476.58 g/mol
LogP5.05
Rot. Bonds5

About (6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one

(6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one (PubChem CID 122600720) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is (6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one
PubChem CID122600720
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name(6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one
SMILESCc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccc5cc[nH]c5c4)[C@@H](Cc4ccccc4)C3)cc2c1
InChIInChI=1S/C30H28N4O2/c1-20-7-10-26-24(13-20)16-28(32-26)30(36)33-18-25(14-21-5-3-2-4-6-21)34(29(35)19-33)17-22-8-9-23-11-12-31-27(23)15-22/h2-13,15-16,25,31-32H,14,17-19H2,1H3/t25-/m0/s1
InChIKeyXZMPTHFNPIMGEX-VWLOTQADSA-N
XLogP5.05
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one?
The IUPAC name of (6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one (CID 122600720) is (6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one?
The canonical SMILES for (6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one is Cc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccc5cc[nH]c5c4)[C@@H](Cc4ccccc4)C3)cc2c1.
What is the InChIKey of (6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one?
The InChIKey is XZMPTHFNPIMGEX-VWLOTQADSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-20-7-10-26-24(13-20)16-28(32-26)30(36)33-18-25(14-21-5-3-2-4-6-21)34(29(35)19-33)17-22-8-9-23-11-12-31-27(23)15-22/h2-13,15-16,25,31-32H,14,17-19H2,1H3/t25-/m0/s1.
What are the key properties of (6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one?
(6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one has a molecular weight of 476.58 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 122600720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).