1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one

C29H29NO2 — CID 11091158

IUPAC1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one
SMILESO=c1c(Cc2ccccc2)c(CCCOCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C29H29NO2/c31-29-28(21-24-11-4-1-5-12-24)27(17-10-20-32-23-26-15-8-3-9-16-26)18-19-30(29)22-25-13-6-2-7-14-25/h1-9,11-16,18-19H,10,17,20-23H2
InChIKeyRJPOILJLSWOOOV-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.64
Rot. Bonds10

About 1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one

1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one (PubChem CID 11091158) has the molecular formula C29H29NO2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one
PubChem CID11091158
Molecular FormulaC29H29NO2
Molecular Weight423.56 g/mol
Exact Mass423.22
IUPAC Name1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one
SMILESO=c1c(Cc2ccccc2)c(CCCOCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C29H29NO2/c31-29-28(21-24-11-4-1-5-12-24)27(17-10-20-32-23-26-15-8-3-9-16-26)18-19-30(29)22-25-13-6-2-7-14-25/h1-9,11-16,18-19H,10,17,20-23H2
InChIKeyRJPOILJLSWOOOV-UHFFFAOYSA-N
XLogP5.64
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one
CID 10126288
1-benzyl-4-(benzyloxy)-3-chloropyridin-2(1H)-one
CID 10236731
1-(4-((ethyl(propyl)amino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487284
4-(4-fluorobenzyloxy)-1-(4-((methyl(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487309
1-(4-((diethylamino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487382
1-[2-[4-[(Dimethylamino)methyl]phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 89798658
1-[2-[4-[(Dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one
CID 122184832
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
CID 10193032
1-benzyl-4-(benzyloxy)-3-methylpyridin-2(1H)-one
CID 10193155
1-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-2-phenyl-ethanone
CID 10549679
1-benzyl-4-(benzyloxy)-3-ethylpyridin-2(1H)-one
CID 22050258
1-benzyl-4-(benzyloxy)-3-iodopyridin-2(1H)-one
CID 22050830

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one?
The IUPAC name of 1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one (CID 11091158) is 1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one.
What is the SMILES notation for 1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one?
The canonical SMILES for 1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one is O=c1c(Cc2ccccc2)c(CCCOCc2ccccc2)ccn1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one?
The InChIKey is RJPOILJLSWOOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO2/c31-29-28(21-24-11-4-1-5-12-24)27(17-10-20-32-23-26-15-8-3-9-16-26)18-19-30(29)22-25-13-6-2-7-14-25/h1-9,11-16,18-19H,10,17,20-23H2.
What are the key properties of 1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one?
1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one has a molecular weight of 423.56 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one is sourced from PubChem (CID 11091158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).