(6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one

C30H28N4O3 — CID 122600979

IUPAC(6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4cccc5cc[nH]c45)[C@@H](Cc4ccccc4)C3)cc2c1
InChIInChI=1S/C30H28N4O3/c1-37-25-10-11-26-23(15-25)16-27(32-26)30(36)33-18-24(14-20-6-3-2-4-7-20)34(28(35)19-33)17-22-9-5-8-21-12-13-31-29(21)22/h2-13,15-16,24,31-32H,14,17-19H2,1H3/t24-/m0/s1
InChIKeyXOCWLCMMZMVSJG-DEOSSOPVSA-N
MW492.58 g/mol
LogP4.75
Rot. Bonds6

About (6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one

(6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one (PubChem CID 122600979) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is (6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
PubChem CID122600979
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC Name(6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4cccc5cc[nH]c45)[C@@H](Cc4ccccc4)C3)cc2c1
InChIInChI=1S/C30H28N4O3/c1-37-25-10-11-26-23(15-25)16-27(32-26)30(36)33-18-24(14-20-6-3-2-4-7-20)34(28(35)19-33)17-22-9-5-8-21-12-13-31-29(21)22/h2-13,15-16,24,31-32H,14,17-19H2,1H3/t24-/m0/s1
InChIKeyXOCWLCMMZMVSJG-DEOSSOPVSA-N
XLogP4.75
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one with MolForge

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Related Compounds

Atevirdine
CID 60848
Go 6983
CID 3499
Asp-9521
CID 25210792
2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
CID 87372
Piperazine, 1-((5-methoxyindol-2-yl)carbonyl)-4-methyl-
CID 206876
Del-22379
CID 11224574
[4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium
CID 446978
N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 11504245
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexanamide
CID 11569290
(5-benzyloxy-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 453389

Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
The IUPAC name of (6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one (CID 122600979) is (6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
The canonical SMILES for (6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one is COc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4cccc5cc[nH]c45)[C@@H](Cc4ccccc4)C3)cc2c1.
What is the InChIKey of (6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
The InChIKey is XOCWLCMMZMVSJG-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H28N4O3/c1-37-25-10-11-26-23(15-25)16-27(32-26)30(36)33-18-24(14-20-6-3-2-4-7-20)34(28(35)19-33)17-22-9-5-8-21-12-13-31-29(21)22/h2-13,15-16,24,31-32H,14,17-19H2,1H3/t24-/m0/s1.
What are the key properties of (6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
(6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one has a molecular weight of 492.58 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-1-(1H-indol-7-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 122600979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).