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

C23H26N2O3 — CID 70688274

IUPAC(2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one
SMILESCOc1cc2c(cc1OCCN1CCCCC1)C(=O)/C(=C\c1ccccn1)C2
InChIInChI=1S/C23H26N2O3/c1-27-21-15-17-13-18(14-19-7-3-4-8-24-19)23(26)20(17)16-22(21)28-12-11-25-9-5-2-6-10-25/h3-4,7-8,14-16H,2,5-6,9-13H2,1H3/b18-14-
InChIKeyXCARREKMIQGPIC-JXAWBTAJSA-N
MW378.47 g/mol
LogP3.78
Rot. Bonds6

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

(2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one (PubChem CID 70688274) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one
PubChem CID70688274
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one
SMILESCOc1cc2c(cc1OCCN1CCCCC1)C(=O)/C(=C\c1ccccn1)C2
InChIInChI=1S/C23H26N2O3/c1-27-21-15-17-13-18(14-19-7-3-4-8-24-19)23(26)20(17)16-22(21)28-12-11-25-9-5-2-6-10-25/h3-4,7-8,14-16H,2,5-6,9-13H2,1H3/b18-14-
InChIKeyXCARREKMIQGPIC-JXAWBTAJSA-N
XLogP3.78
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one?
The IUPAC name of (2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one (CID 70688274) is (2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one.
What is the SMILES notation for (2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one?
The canonical SMILES for (2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one is COc1cc2c(cc1OCCN1CCCCC1)C(=O)/C(=C\c1ccccn1)C2.
What is the InChIKey of (2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one?
The InChIKey is XCARREKMIQGPIC-JXAWBTAJSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-21-15-17-13-18(14-19-7-3-4-8-24-19)23(26)20(17)16-22(21)28-12-11-25-9-5-2-6-10-25/h3-4,7-8,14-16H,2,5-6,9-13H2,1H3/b18-14-.
What are the key properties of (2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one?
(2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one has a molecular weight of 378.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-methoxy-6-(2-piperidin-1-ylethoxy)-2-(pyridin-2-ylmethylidene)-3H-inden-1-one is sourced from PubChem (CID 70688274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).