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

C22H27N3O — CID 42626293

IUPAC1-[4-(4-phenylpiperazin-1-yl)butyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
InChIKeyLNEVPGGCVOGZMM-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.18
Rot. Bonds6

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

1-[4-(4-phenylpiperazin-1-yl)butyl]-3H-indol-2-one (PubChem CID 42626293) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[4-(4-phenylpiperazin-1-yl)butyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[4-(4-phenylpiperazin-1-yl)butyl]-3H-indol-2-one
PubChem CID42626293
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-[4-(4-phenylpiperazin-1-yl)butyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
InChIKeyLNEVPGGCVOGZMM-UHFFFAOYSA-N
XLogP3.18
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.18
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-phenylpiperazin-1-yl)butyl]-3H-indol-2-one?
The IUPAC name of 1-[4-(4-phenylpiperazin-1-yl)butyl]-3H-indol-2-one (CID 42626293) is 1-[4-(4-phenylpiperazin-1-yl)butyl]-3H-indol-2-one.
What is the SMILES notation for 1-[4-(4-phenylpiperazin-1-yl)butyl]-3H-indol-2-one?
The canonical SMILES for 1-[4-(4-phenylpiperazin-1-yl)butyl]-3H-indol-2-one is O=C1Cc2ccccc2N1CCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[4-(4-phenylpiperazin-1-yl)butyl]-3H-indol-2-one?
The InChIKey is LNEVPGGCVOGZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2.
What are the key properties of 1-[4-(4-phenylpiperazin-1-yl)butyl]-3H-indol-2-one?
1-[4-(4-phenylpiperazin-1-yl)butyl]-3H-indol-2-one has a molecular weight of 349.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenylpiperazin-1-yl)butyl]-3H-indol-2-one is sourced from PubChem (CID 42626293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).