6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one

C19H20N4O2 — CID 30467389

IUPAC6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cccc(-n2ccc3nc(N4CCCCC4)ncc3c2=O)c1
InChIInChI=1S/C19H20N4O2/c1-25-15-7-5-6-14(12-15)23-11-8-17-16(18(23)24)13-20-19(21-17)22-9-3-2-4-10-22/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyWAGJEUPUEAAOFJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.78
Rot. Bonds3

About 6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one

6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 30467389) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one
PubChem CID30467389
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cccc(-n2ccc3nc(N4CCCCC4)ncc3c2=O)c1
InChIInChI=1S/C19H20N4O2/c1-25-15-7-5-6-14(12-15)23-11-8-17-16(18(23)24)13-20-19(21-17)22-9-3-2-4-10-22/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyWAGJEUPUEAAOFJ-UHFFFAOYSA-N
XLogP2.78
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 25251774
6-(4-methylphenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 25239662
6-(4-bromophenyl)-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 30467452
2-pyrrolidin-1-yl-6-(2-sulfanylphenyl)pyrido[4,3-d]pyrimidin-5-one
CID 46397650
1-(3-methoxyphenyl)azepane
CID 57276431
2-(3-methoxyphenyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865060
6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
CID 44616049
N-(3-methoxyphenyl)-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146185
6-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
CID 17190770
2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 20867039
8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3235243
2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3242980

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one (CID 30467389) is 6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one is COc1cccc(-n2ccc3nc(N4CCCCC4)ncc3c2=O)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is WAGJEUPUEAAOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-15-7-5-6-14(12-15)23-11-8-17-16(18(23)24)13-20-19(21-17)22-9-3-2-4-10-22/h5-8,11-13H,2-4,9-10H2,1H3.
What are the key properties of 6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one?
6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 336.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-piperidin-1-ylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 30467389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).