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

C26H30N4O4 — CID 122600448

IUPAC(6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](CN4CCOCC4)C3)cc2c1
InChIInChI=1S/C26H30N4O4/c1-33-22-7-8-23-20(13-22)14-24(27-23)26(32)29-17-21(16-28-9-11-34-12-10-28)30(25(31)18-29)15-19-5-3-2-4-6-19/h2-8,13-14,21,27H,9-12,15-18H2,1H3/t21-/m0/s1
InChIKeyLFOYJMPKFFHXJW-NRFANRHFSA-N
MW462.55 g/mol
LogP2.36
Rot. Bonds6

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

(6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one (PubChem CID 122600448) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is (6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one
PubChem CID122600448
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name(6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](CN4CCOCC4)C3)cc2c1
InChIInChI=1S/C26H30N4O4/c1-33-22-7-8-23-20(13-22)14-24(27-23)26(32)29-17-21(16-28-9-11-34-12-10-28)30(25(31)18-29)15-19-5-3-2-4-6-19/h2-8,13-14,21,27H,9-12,15-18H2,1H3/t21-/m0/s1
InChIKeyLFOYJMPKFFHXJW-NRFANRHFSA-N
XLogP2.36
TPSA78.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one?
The IUPAC name of (6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one (CID 122600448) is (6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one.
What is the SMILES notation for (6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one?
The canonical SMILES for (6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one is COc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](CN4CCOCC4)C3)cc2c1.
What is the InChIKey of (6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one?
The InChIKey is LFOYJMPKFFHXJW-NRFANRHFSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-33-22-7-8-23-20(13-22)14-24(27-23)26(32)29-17-21(16-28-9-11-34-12-10-28)30(25(31)18-29)15-19-5-3-2-4-6-19/h2-8,13-14,21,27H,9-12,15-18H2,1H3/t21-/m0/s1.
What are the key properties of (6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one?
(6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one has a molecular weight of 462.55 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-(morpholin-4-ylmethyl)piperazin-2-one is sourced from PubChem (CID 122600448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).