1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one

C23H29N3O — CID 42626361

IUPAC1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O/c27-23-19-20-9-5-6-12-22(20)26(23)14-8-2-7-13-24-15-17-25(18-16-24)21-10-3-1-4-11-21/h1,3-6,9-12H,2,7-8,13-19H2
InChIKeyLGXOFEQBKJYIPM-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.57
Rot. Bonds7

About 1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one

1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one (PubChem CID 42626361) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one
PubChem CID42626361
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O/c27-23-19-20-9-5-6-12-22(20)26(23)14-8-2-7-13-24-15-17-25(18-16-24)21-10-3-1-4-11-21/h1,3-6,9-12H,2,7-8,13-19H2
InChIKeyLGXOFEQBKJYIPM-UHFFFAOYSA-N
XLogP3.57
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.57
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-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one?
The IUPAC name of 1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one (CID 42626361) is 1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one.
What is the SMILES notation for 1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one?
The canonical SMILES for 1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one is O=C1Cc2ccccc2N1CCCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one?
The InChIKey is LGXOFEQBKJYIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23-19-20-9-5-6-12-22(20)26(23)14-8-2-7-13-24-15-17-25(18-16-24)21-10-3-1-4-11-21/h1,3-6,9-12H,2,7-8,13-19H2.
What are the key properties of 1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one?
1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one has a molecular weight of 363.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-phenylpiperazin-1-yl)pentyl]-3H-indol-2-one is sourced from PubChem (CID 42626361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).