[1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone

C31H35N3O2 — CID 93123879

IUPAC[1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone
SMILESCC[C@@H](C)Oc1cccc2c1cc(C(=O)N1CCN(Cc3ccccc3)CC1)n2Cc1ccccc1
InChIInChI=1S/C31H35N3O2/c1-3-24(2)36-30-16-10-15-28-27(30)21-29(34(28)23-26-13-8-5-9-14-26)31(35)33-19-17-32(18-20-33)22-25-11-6-4-7-12-25/h4-16,21,24H,3,17-20,22-23H2,1-2H3/t24-/m1/s1
InChIKeyZAADBDYQTLHLRV-XMMPIXPASA-N
MW481.64 g/mol
LogP5.82
Rot. Bonds8

About [1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone

[1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone (PubChem CID 93123879) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is [1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone
PubChem CID93123879
Molecular FormulaC31H35N3O2
Molecular Weight481.64 g/mol
Exact Mass481.27
IUPAC Name[1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone
SMILESCC[C@@H](C)Oc1cccc2c1cc(C(=O)N1CCN(Cc3ccccc3)CC1)n2Cc1ccccc1
InChIInChI=1S/C31H35N3O2/c1-3-24(2)36-30-16-10-15-28-27(30)21-29(34(28)23-26-13-8-5-9-14-26)31(35)33-19-17-32(18-20-33)22-25-11-6-4-7-12-25/h4-16,21,24H,3,17-20,22-23H2,1-2H3/t24-/m1/s1
InChIKeyZAADBDYQTLHLRV-XMMPIXPASA-N
XLogP5.82
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone
CID 93077137
(1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone
CID 42666991
(1-benzyl-4-butan-2-yloxyindol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42666992
(4-benzylpiperazin-1-yl)-[1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxyindol-2-yl]methanone
CID 42667216
4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide
CID 60582953
(4-benzylpiperazin-1-yl)-[4-[(4-methoxyphenyl)methyl]-2-phenylthieno[3,2-b]pyrrol-5-yl]methanone
CID 127040479
[1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindol-2-yl]-piperidin-1-ylmethanone
CID 42667129
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 55923290
(5-amino-1-benzylindol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42806101
(4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 91959090
(4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone
CID 42666955
methyl 1-benzyl-4-(2-hydroxyethoxy)indole-2-carboxylate
CID 18522132

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone?
The IUPAC name of [1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone (CID 93123879) is [1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone?
The canonical SMILES for [1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone is CC[C@@H](C)Oc1cccc2c1cc(C(=O)N1CCN(Cc3ccccc3)CC1)n2Cc1ccccc1.
What is the InChIKey of [1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone?
The InChIKey is ZAADBDYQTLHLRV-XMMPIXPASA-N. The full InChI is InChI=1S/C31H35N3O2/c1-3-24(2)36-30-16-10-15-28-27(30)21-29(34(28)23-26-13-8-5-9-14-26)31(35)33-19-17-32(18-20-33)22-25-11-6-4-7-12-25/h4-16,21,24H,3,17-20,22-23H2,1-2H3/t24-/m1/s1.
What are the key properties of [1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone?
[1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone has a molecular weight of 481.64 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone is sourced from PubChem (CID 93123879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).