7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C22H25NO3 — CID 44770657

IUPAC7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(Cc3ccc(C)cc3)CC1)CC2=O
InChIInChI=1S/C22H25NO3/c1-16-3-5-17(6-4-16)15-23-11-9-22(10-12-23)14-20(24)19-8-7-18(25-2)13-21(19)26-22/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyHBFQBBPVDZXUIY-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.00
Rot. Bonds3

About 7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one

7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 44770657) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID44770657
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(Cc3ccc(C)cc3)CC1)CC2=O
InChIInChI=1S/C22H25NO3/c1-16-3-5-17(6-4-16)15-23-11-9-22(10-12-23)14-20(24)19-8-7-18(25-2)13-21(19)26-22/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyHBFQBBPVDZXUIY-UHFFFAOYSA-N
XLogP4.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-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 7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 44770657) is 7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc2c(c1)OC1(CCN(Cc3ccc(C)cc3)CC1)CC2=O.
What is the InChIKey of 7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is HBFQBBPVDZXUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-16-3-5-17(6-4-16)15-23-11-9-22(10-12-23)14-20(24)19-8-7-18(25-2)13-21(19)26-22/h3-8,13H,9-12,14-15H2,1-2H3.
What are the key properties of 7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 351.45 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 44770657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).