3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one

C25H28N2O5 — CID 171142406

IUPAC3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
SMILESCOc1ccc(CN2C(=O)C(OC)C2C2=CCN(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C25H28N2O5/c1-30-20-8-4-17(5-9-20)16-27-22(23(32-3)25(27)29)18-12-14-26(15-13-18)24(28)19-6-10-21(31-2)11-7-19/h4-12,22-23H,13-16H2,1-3H3
InChIKeyWNHVDBDJLZWVEY-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.90
Rot. Bonds7

About 3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one

3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one (PubChem CID 171142406) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one.

Molecular Properties

Compound Name3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
PubChem CID171142406
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
SMILESCOc1ccc(CN2C(=O)C(OC)C2C2=CCN(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C25H28N2O5/c1-30-20-8-4-17(5-9-20)16-27-22(23(32-3)25(27)29)18-12-14-26(15-13-18)24(28)19-6-10-21(31-2)11-7-19/h4-12,22-23H,13-16H2,1-3H3
InChIKeyWNHVDBDJLZWVEY-UHFFFAOYSA-N
XLogP2.90
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid
CID 102569921
(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone
CID 10657158
(3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
CID 91911520
(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 124629774
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17366074
4-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6-[4-(morpholine-4-carbonyl)anilino]-3H-quinoxalin-2-one
CID 123731123
(8aR)-7-(4-chlorobenzoyl)-2-[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368453
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110365515
1-[(4-methoxyphenyl)methyl]-4-(4-propylbenzoyl)piperazin-2-one
CID 70767558
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 51292547

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one?
The IUPAC name of 3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one (CID 171142406) is 3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one.
What is the SMILES notation for 3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one?
The canonical SMILES for 3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one is COc1ccc(CN2C(=O)C(OC)C2C2=CCN(C(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one?
The InChIKey is WNHVDBDJLZWVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-30-20-8-4-17(5-9-20)16-27-22(23(32-3)25(27)29)18-12-14-26(15-13-18)24(28)19-6-10-21(31-2)11-7-19/h4-12,22-23H,13-16H2,1-3H3.
What are the key properties of 3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one?
3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one has a molecular weight of 436.51 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[1-(4-methoxybenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one is sourced from PubChem (CID 171142406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).