1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one

C15H17NO2 — CID 23044217

IUPAC1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one
SMILESCOc1ccc2c(c1)=C(CN1CCC(=O)CC1)C=2
InChIInChI=1S/C15H17NO2/c1-18-14-3-2-11-8-12(15(11)9-14)10-16-6-4-13(17)5-7-16/h2-3,8-9H,4-7,10H2,1H3
InChIKeyYBVLHYSOWMKSBK-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.30
Rot. Bonds3

About 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one

1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one (PubChem CID 23044217) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one
PubChem CID23044217
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one
SMILESCOc1ccc2c(c1)=C(CN1CCC(=O)CC1)C=2
InChIInChI=1S/C15H17NO2/c1-18-14-3-2-11-8-12(15(11)9-14)10-16-6-4-13(17)5-7-16/h2-3,8-9H,4-7,10H2,1H3
InChIKeyYBVLHYSOWMKSBK-UHFFFAOYSA-N
XLogP0.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-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-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one?
The IUPAC name of 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one (CID 23044217) is 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one is COc1ccc2c(c1)=C(CN1CCC(=O)CC1)C=2.
What is the InChIKey of 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one?
The InChIKey is YBVLHYSOWMKSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-18-14-3-2-11-8-12(15(11)9-14)10-16-6-4-13(17)5-7-16/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one?
1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one has a molecular weight of 243.31 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidin-4-one is sourced from PubChem (CID 23044217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).