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

C23H28N2O — CID 42625359

IUPAC1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c26-23-18-21-10-4-5-11-22(21)25(23)15-7-6-14-24-16-12-20(13-17-24)19-8-2-1-3-9-19/h1-5,8-11,20H,6-7,12-18H2
InChIKeyKHDJJPKYJGGNDX-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.24
Rot. Bonds6

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

1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one (PubChem CID 42625359) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one
PubChem CID42625359
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c26-23-18-21-10-4-5-11-22(21)25(23)15-7-6-14-24-16-12-20(13-17-24)19-8-2-1-3-9-19/h1-5,8-11,20H,6-7,12-18H2
InChIKeyKHDJJPKYJGGNDX-UHFFFAOYSA-N
XLogP4.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one?
The IUPAC name of 1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one (CID 42625359) is 1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one.
What is the SMILES notation for 1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one?
The canonical SMILES for 1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one is O=C1Cc2ccccc2N1CCCCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one?
The InChIKey is KHDJJPKYJGGNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c26-23-18-21-10-4-5-11-22(21)25(23)15-7-6-14-24-16-12-20(13-17-24)19-8-2-1-3-9-19/h1-5,8-11,20H,6-7,12-18H2.
What are the key properties of 1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one?
1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one has a molecular weight of 348.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenylpiperidin-1-yl)butyl]-3H-indol-2-one is sourced from PubChem (CID 42625359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).