(6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one

C29H29N3O4 — CID 122600603

IUPAC(6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](COCc4ccccc4)C3)cc2c1
InChIInChI=1S/C29H29N3O4/c1-35-25-12-13-26-23(14-25)15-27(30-26)29(34)31-17-24(20-36-19-22-10-6-3-7-11-22)32(28(33)18-31)16-21-8-4-2-5-9-21/h2-15,24,30H,16-20H2,1H3/t24-/m1/s1
InChIKeyNINUYMWGRNMAAD-XMMPIXPASA-N
MW483.57 g/mol
LogP4.25
Rot. Bonds8

About (6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one

(6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one (PubChem CID 122600603) has the molecular formula C29H29N3O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is (6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one.

Molecular Properties

Compound Name(6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one
PubChem CID122600603
Molecular FormulaC29H29N3O4
Molecular Weight483.57 g/mol
Exact Mass483.22
IUPAC Name(6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](COCc4ccccc4)C3)cc2c1
InChIInChI=1S/C29H29N3O4/c1-35-25-12-13-26-23(14-25)15-27(30-26)29(34)31-17-24(20-36-19-22-10-6-3-7-11-22)32(28(33)18-31)16-21-8-4-2-5-9-21/h2-15,24,30H,16-20H2,1H3/t24-/m1/s1
InChIKeyNINUYMWGRNMAAD-XMMPIXPASA-N
XLogP4.25
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one?
The IUPAC name of (6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one (CID 122600603) is (6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one.
What is the SMILES notation for (6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one?
The canonical SMILES for (6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one is COc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](COCc4ccccc4)C3)cc2c1.
What is the InChIKey of (6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one?
The InChIKey is NINUYMWGRNMAAD-XMMPIXPASA-N. The full InChI is InChI=1S/C29H29N3O4/c1-35-25-12-13-26-23(14-25)15-27(30-26)29(34)31-17-24(20-36-19-22-10-6-3-7-11-22)32(28(33)18-31)16-21-8-4-2-5-9-21/h2-15,24,30H,16-20H2,1H3/t24-/m1/s1.
What are the key properties of (6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one?
(6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one has a molecular weight of 483.57 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(phenylmethoxymethyl)piperazin-2-one is sourced from PubChem (CID 122600603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).