(6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one

C28H26FN3O4 — CID 122600621

IUPAC(6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](COc4ccc(F)cc4)C3)cc2c1
InChIInChI=1S/C28H26FN3O4/c1-35-24-11-12-25-20(13-24)14-26(30-25)28(34)31-16-22(18-36-23-9-7-21(29)8-10-23)32(27(33)17-31)15-19-5-3-2-4-6-19/h2-14,22,30H,15-18H2,1H3/t22-/m1/s1
InChIKeyLDQTVHJRJHDWQP-JOCHJYFZSA-N
MW487.53 g/mol
LogP4.25
Rot. Bonds7

About (6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one

(6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one (PubChem CID 122600621) has the molecular formula C28H26FN3O4 and a molecular weight of 487.53 g/mol. Its IUPAC name is (6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
PubChem CID122600621
Molecular FormulaC28H26FN3O4
Molecular Weight487.53 g/mol
Exact Mass487.19
IUPAC Name(6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](COc4ccc(F)cc4)C3)cc2c1
InChIInChI=1S/C28H26FN3O4/c1-35-24-11-12-25-20(13-24)14-26(30-25)28(34)31-16-22(18-36-23-9-7-21(29)8-10-23)32(27(33)17-31)15-19-5-3-2-4-6-19/h2-14,22,30H,15-18H2,1H3/t22-/m1/s1
InChIKeyLDQTVHJRJHDWQP-JOCHJYFZSA-N
XLogP4.25
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
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-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
The IUPAC name of (6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one (CID 122600621) is (6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
The canonical SMILES for (6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one is COc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](COc4ccc(F)cc4)C3)cc2c1.
What is the InChIKey of (6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
The InChIKey is LDQTVHJRJHDWQP-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H26FN3O4/c1-35-24-11-12-25-20(13-24)14-26(30-25)28(34)31-16-22(18-36-23-9-7-21(29)8-10-23)32(27(33)17-31)15-19-5-3-2-4-6-19/h2-14,22,30H,15-18H2,1H3/t22-/m1/s1.
What are the key properties of (6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
(6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one has a molecular weight of 487.53 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-benzyl-6-[(4-fluorophenoxy)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 122600621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).