2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C24H30N4O4 — CID 92630187

IUPAC2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)CC3)C1
InChIInChI=1S/C24H30N4O4/c1-16-20-10-11-21(29)28(13-17-6-8-19(32-3)9-7-17)24(20)26-23(25-16)18-5-4-12-27(14-18)22(30)15-31-2/h6-9,18H,4-5,10-15H2,1-3H3/t18-/m0/s1
InChIKeyINMRZVVGAMIUBK-SFHVURJKSA-N
MW438.53 g/mol
LogP2.63
Rot. Bonds6

About 2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92630187) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92630187
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)CC3)C1
InChIInChI=1S/C24H30N4O4/c1-16-20-10-11-21(29)28(13-17-6-8-19(32-3)9-7-17)24(20)26-23(25-16)18-5-4-12-27(14-18)22(30)15-31-2/h6-9,18H,4-5,10-15H2,1-3H3/t18-/m0/s1
InChIKeyINMRZVVGAMIUBK-SFHVURJKSA-N
XLogP2.63
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(4-methoxyphenyl)methyl]-4-methyl-2-[(3R)-1-propanoylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831252
8-(cyclopropylmethyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261023
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-propanoylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629275
2-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-7-[(4-methoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631239
2-[(3R)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-7-[(4-methoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631509
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124982743
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629298
3-methoxy-1-[(3R)-3-[8-[(4-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92622431
2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249292
2-[(2R)-1-(2-methoxyacetyl)piperidin-2-yl]-7-[(4-methoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629478
1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92622816
8-benzyl-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249324

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92630187) is 2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)CC3)C1.
What is the InChIKey of 2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is INMRZVVGAMIUBK-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-16-20-10-11-21(29)28(13-17-6-8-19(32-3)9-7-17)24(20)26-23(25-16)18-5-4-12-27(14-18)22(30)15-31-2/h6-9,18H,4-5,10-15H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 438.53 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92630187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).