1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

C23H30N4O2 — CID 92622816

IUPAC1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(C)CCC4)C2)cc1
InChIInChI=1S/C23H30N4O2/c1-16-20-7-5-12-26(2)23(20)25-22(24-16)18-6-4-13-27(15-18)21(28)14-17-8-10-19(29-3)11-9-17/h8-11,18H,4-7,12-15H2,1-3H3/t18-/m1/s1
InChIKeyLTLHSQQQVZHCLH-GOSISDBHSA-N
MW394.52 g/mol
LogP3.12
Rot. Bonds4

About 1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 92622816) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID92622816
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(C)CCC4)C2)cc1
InChIInChI=1S/C23H30N4O2/c1-16-20-7-5-12-26(2)23(20)25-22(24-16)18-6-4-13-27(15-18)21(28)14-17-8-10-19(29-3)11-9-17/h8-11,18H,4-7,12-15H2,1-3H3/t18-/m1/s1
InChIKeyLTLHSQQQVZHCLH-GOSISDBHSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone with MolForge

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Related Compounds

8-(cyclopropylmethyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261023
1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110263503
1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110263455
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
1-[(3S)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-4-(4-fluorophenyl)butan-1-one
CID 92622635
2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 110263384
2-[2-[(3S)-1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N,N-dimethylacetamide
CID 124991959
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261025
8-[(4-methoxyphenyl)methyl]-4-methyl-2-[(3R)-1-propanoylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831252
4,8-dimethyl-2-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618825
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
[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110268686

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 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) is 1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(C)CCC4)C2)cc1.
What is the InChIKey of 1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is LTLHSQQQVZHCLH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16-20-7-5-12-26(2)23(20)25-22(24-16)18-6-4-13-27(15-18)21(28)14-17-8-10-19(29-3)11-9-17/h8-11,18H,4-7,12-15H2,1-3H3/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 394.52 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 92622816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).