(6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one

C26H25N3O4 — CID 122600626

IUPAC(6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccoc4)[C@@H](Cc4ccccc4)C3)cc2c1
InChIInChI=1S/C26H25N3O4/c1-32-22-7-8-23-20(12-22)13-24(27-23)26(31)28-15-21(11-18-5-3-2-4-6-18)29(25(30)16-28)14-19-9-10-33-17-19/h2-10,12-13,17,21,27H,11,14-16H2,1H3/t21-/m0/s1
InChIKeyKRAMZHWXWRHMSZ-NRFANRHFSA-N
MW443.50 g/mol
LogP3.87
Rot. Bonds6

About (6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one

(6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one (PubChem CID 122600626) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is (6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
PubChem CID122600626
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name(6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccoc4)[C@@H](Cc4ccccc4)C3)cc2c1
InChIInChI=1S/C26H25N3O4/c1-32-22-7-8-23-20(12-22)13-24(27-23)26(31)28-15-21(11-18-5-3-2-4-6-18)29(25(30)16-28)14-19-9-10-33-17-19/h2-10,12-13,17,21,27H,11,14-16H2,1H3/t21-/m0/s1
InChIKeyKRAMZHWXWRHMSZ-NRFANRHFSA-N
XLogP3.87
TPSA78.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
The IUPAC name of (6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one (CID 122600626) is (6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
The canonical SMILES for (6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one is COc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccoc4)[C@@H](Cc4ccccc4)C3)cc2c1.
What is the InChIKey of (6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
The InChIKey is KRAMZHWXWRHMSZ-NRFANRHFSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-32-22-7-8-23-20(12-22)13-24(27-23)26(31)28-15-21(11-18-5-3-2-4-6-18)29(25(30)16-28)14-19-9-10-33-17-19/h2-10,12-13,17,21,27H,11,14-16H2,1H3/t21-/m0/s1.
What are the key properties of (6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
(6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one has a molecular weight of 443.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-1-(furan-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 122600626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).