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

C22H26ClN3O — CID 23653176

IUPAC1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O/c23-19-7-9-20(10-8-19)25-15-13-24(14-16-25)11-3-4-12-26-21-6-2-1-5-18(21)17-22(26)27/h1-2,5-10H,3-4,11-17H2
InChIKeyAEVXOGLKVVRZCX-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.83
Rot. Bonds6

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

1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one (PubChem CID 23653176) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one
PubChem CID23653176
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O/c23-19-7-9-20(10-8-19)25-15-13-24(14-16-25)11-3-4-12-26-21-6-2-1-5-18(21)17-22(26)27/h1-2,5-10H,3-4,11-17H2
InChIKeyAEVXOGLKVVRZCX-UHFFFAOYSA-N
XLogP3.83
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
The IUPAC name of 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one (CID 23653176) is 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one.
What is the SMILES notation for 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
The canonical SMILES for 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one is O=C1Cc2ccccc2N1CCCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
The InChIKey is AEVXOGLKVVRZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c23-19-7-9-20(10-8-19)25-15-13-24(14-16-25)11-3-4-12-26-21-6-2-1-5-18(21)17-22(26)27/h1-2,5-10H,3-4,11-17H2.
What are the key properties of 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one?
1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one has a molecular weight of 383.92 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3H-indol-2-one is sourced from PubChem (CID 23653176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).