1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one

C23H29N3O2 — CID 10667433

IUPAC1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C23H29N3O2/c1-28-22-11-5-4-10-21(22)25-16-14-24(15-17-25)12-6-7-13-26-20-9-3-2-8-19(20)18-23(26)27/h2-5,8-11H,6-7,12-18H2,1H3
InChIKeyVJMHUOSOEAGNQW-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.19
Rot. Bonds7

About 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one

1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one (PubChem CID 10667433) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
PubChem CID10667433
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
SMILESCOc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C23H29N3O2/c1-28-22-11-5-4-10-21(22)25-16-14-24(15-17-25)12-6-7-13-26-20-9-3-2-8-19(20)18-23(26)27/h2-5,8-11H,6-7,12-18H2,1H3
InChIKeyVJMHUOSOEAGNQW-UHFFFAOYSA-N
XLogP3.19
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
The IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one (CID 10667433) is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one.
What is the SMILES notation for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
The canonical SMILES for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one is COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
The InChIKey is VJMHUOSOEAGNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-22-11-5-4-10-21(22)25-16-14-24(15-17-25)12-6-7-13-26-20-9-3-2-8-19(20)18-23(26)27/h2-5,8-11H,6-7,12-18H2,1H3.
What are the key properties of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one has a molecular weight of 379.50 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one is sourced from PubChem (CID 10667433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).