(2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one

C26H32N2O3 — CID 70688277

IUPAC(2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
SMILESCOc1cc2c(cc1OCCCCCN1CCCCC1)C(=O)/C(=C\c1ccncc1)C2
InChIInChI=1S/C26H32N2O3/c1-30-24-18-21-17-22(16-20-8-10-27-11-9-20)26(29)23(21)19-25(24)31-15-7-3-6-14-28-12-4-2-5-13-28/h8-11,16,18-19H,2-7,12-15,17H2,1H3/b22-16-
InChIKeyLZPFKEYHRMTWRF-JWGURIENSA-N
MW420.55 g/mol
LogP4.95
Rot. Bonds9

About (2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one

(2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one (PubChem CID 70688277) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is (2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
PubChem CID70688277
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name(2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
SMILESCOc1cc2c(cc1OCCCCCN1CCCCC1)C(=O)/C(=C\c1ccncc1)C2
InChIInChI=1S/C26H32N2O3/c1-30-24-18-21-17-22(16-20-8-10-27-11-9-20)26(29)23(21)19-25(24)31-15-7-3-6-14-28-12-4-2-5-13-28/h8-11,16,18-19H,2-7,12-15,17H2,1H3/b22-16-
InChIKeyLZPFKEYHRMTWRF-JWGURIENSA-N
XLogP4.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-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 (2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one?
The IUPAC name of (2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one (CID 70688277) is (2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one.
What is the SMILES notation for (2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one?
The canonical SMILES for (2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one is COc1cc2c(cc1OCCCCCN1CCCCC1)C(=O)/C(=C\c1ccncc1)C2.
What is the InChIKey of (2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one?
The InChIKey is LZPFKEYHRMTWRF-JWGURIENSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-30-24-18-21-17-22(16-20-8-10-27-11-9-20)26(29)23(21)19-25(24)31-15-7-3-6-14-28-12-4-2-5-13-28/h8-11,16,18-19H,2-7,12-15,17H2,1H3/b22-16-.
What are the key properties of (2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one?
(2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one has a molecular weight of 420.55 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-methoxy-6-(5-piperidin-1-ylpentoxy)-2-(pyridin-4-ylmethylidene)-3H-inden-1-one is sourced from PubChem (CID 70688277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).