5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole

C16H24N2O — CID 11724369

IUPAC5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1OCCCN1CCCCC1)CCN2
InChIInChI=1S/C16H24N2O/c1-2-9-18(10-3-1)11-4-12-19-15-5-6-16-14(13-15)7-8-17-16/h5-6,13,17H,1-4,7-12H2
InChIKeyFZNOUKDDPFWMCE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.91
Rot. Bonds5

About 5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole

5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole (PubChem CID 11724369) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole
PubChem CID11724369
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1OCCCN1CCCCC1)CCN2
InChIInChI=1S/C16H24N2O/c1-2-9-18(10-3-1)11-4-12-19-15-5-6-16-14(13-15)7-8-17-16/h5-6,13,17H,1-4,7-12H2
InChIKeyFZNOUKDDPFWMCE-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole 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 5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole (CID 11724369) is 5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole is c1cc2c(cc1OCCCN1CCCCC1)CCN2.
What is the InChIKey of 5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole?
The InChIKey is FZNOUKDDPFWMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-9-18(10-3-1)11-4-12-19-15-5-6-16-14(13-15)7-8-17-16/h5-6,13,17H,1-4,7-12H2.
What are the key properties of 5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole?
5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole has a molecular weight of 260.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole is sourced from PubChem (CID 11724369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).