6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one

C16H20N4O3 — CID 165398615

IUPAC6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1(c2cc3cncnc3n(C)c2=O)CCN(C(C)=O)CC1
InChIInChI=1S/C16H20N4O3/c1-11(21)20-6-4-16(23-3,5-7-20)13-8-12-9-17-10-18-14(12)19(2)15(13)22/h8-10H,4-7H2,1-3H3
InChIKeyRTOCUSBAOOJOJM-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.81
Rot. Bonds2

About 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 165398615) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID165398615
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1(c2cc3cncnc3n(C)c2=O)CCN(C(C)=O)CC1
InChIInChI=1S/C16H20N4O3/c1-11(21)20-6-4-16(23-3,5-7-20)13-8-12-9-17-10-18-14(12)19(2)15(13)22/h8-10H,4-7H2,1-3H3
InChIKeyRTOCUSBAOOJOJM-UHFFFAOYSA-N
XLogP0.81
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1-acetyl-4-methoxypiperidin-4-yl)-4-[1-[3-(difluoromethyl)-2-fluorophenyl]ethylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 170392894
6-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 175831763
6-(1-acetyl-3-methoxypyrrolidin-3-yl)-4-[[2-fluoro-3-(fluoromethyl)phenyl]methylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 165398564
6-bromo-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 175780859
6-(1-acetyl-4-methoxypiperidin-4-yl)-2,8-dimethyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-ynyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 165386671
8-methyl-6-[(3S)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one
CID 175933676
8-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyrido[2,3-d]pyrimidin-7-one
CID 175933692
1-(4-methoxy-4-phenylpiperidin-1-yl)ethanone
CID 126758606
6-(3,6-dihydro-2H-thiopyran-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 175780819
9-methyl-7-(pyrrolidine-1-carbonyl)purin-8-one
CID 142742460
1-[4-(5-chloro-8-hydroxy-1,7-dimethyl-2H-1,6-naphthyridin-3-yl)-4-methoxypiperidin-1-yl]ethanone
CID 175990280
3-(1-acetyl-4-ethoxypiperidin-4-yl)-5-chloro-1,7-dimethyl-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-2-one
CID 170760532

Frequently Asked Questions

What is the IUPAC name of 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 165398615) is 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one is COC1(c2cc3cncnc3n(C)c2=O)CCN(C(C)=O)CC1.
What is the InChIKey of 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RTOCUSBAOOJOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11(21)20-6-4-16(23-3,5-7-20)13-8-12-9-17-10-18-14(12)19(2)15(13)22/h8-10H,4-7H2,1-3H3.
What are the key properties of 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 316.36 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetyl-4-methoxypiperidin-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 165398615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).