1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one

C25H27N3O4 — CID 172660066

IUPAC1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)N2CCCC(OCc3cccnc3)C2)c1=O
InChIInChI=1S/C25H27N3O4/c1-18-11-14-28(21-9-3-4-10-22(21)31-2)25(30)23(18)24(29)27-13-6-8-20(16-27)32-17-19-7-5-12-26-15-19/h3-5,7,9-12,14-15,20H,6,8,13,16-17H2,1-2H3
InChIKeyOPJUZEZFRZAUGB-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.37
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one

1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 172660066) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one
PubChem CID172660066
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)N2CCCC(OCc3cccnc3)C2)c1=O
InChIInChI=1S/C25H27N3O4/c1-18-11-14-28(21-9-3-4-10-22(21)31-2)25(30)23(18)24(29)27-13-6-8-20(16-27)32-17-19-7-5-12-26-15-19/h3-5,7,9-12,14-15,20H,6,8,13,16-17H2,1-2H3
InChIKeyOPJUZEZFRZAUGB-UHFFFAOYSA-N
XLogP3.37
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one with MolForge

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Related Compounds

[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
CID 96582328
(6-methoxy-2,3-dihydro-1H-inden-5-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70721344
(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 96577943
(2-methoxy-4-pyridinyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70710793
(2-morpholin-4-ylphenyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131916218
(5-fluoro-2-methylphenyl)-[(3S)-3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]methanone
CID 96529742
2,1-benzoxazol-3-yl-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 95207327
2-phenylsulfanyl-1-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580928
2-phenylsulfanyl-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580927
[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70758176
3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 172671190
[3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone
CID 136542403

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one (CID 172660066) is 1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one is COc1ccccc1-n1ccc(C)c(C(=O)N2CCCC(OCc3cccnc3)C2)c1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is OPJUZEZFRZAUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-18-11-14-28(21-9-3-4-10-22(21)31-2)25(30)23(18)24(29)27-13-6-8-20(16-27)32-17-19-7-5-12-26-15-19/h3-5,7,9-12,14-15,20H,6,8,13,16-17H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one?
1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 433.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-methyl-3-[3-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 172660066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).