1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione

C22H26N4O2 — CID 110264730

IUPAC1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C3CCCN(CCc4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C22H26N4O2/c1-24-20-18(21(27)25(2)22(24)28)10-11-19(23-20)17-9-6-13-26(15-17)14-12-16-7-4-3-5-8-16/h3-5,7-8,10-11,17H,6,9,12-15H2,1-2H3
InChIKeyOEPUJSHUAHHCRT-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.05
Rot. Bonds4

About 1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 110264730) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID110264730
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C3CCCN(CCc4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C22H26N4O2/c1-24-20-18(21(27)25(2)22(24)28)10-11-19(23-20)17-9-6-13-26(15-17)14-12-16-7-4-3-5-8-16/h3-5,7-8,10-11,17H,6,9,12-15H2,1-2H3
InChIKeyOEPUJSHUAHHCRT-UHFFFAOYSA-N
XLogP2.05
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1,3-dimethyl-7-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127252066
1-benzyl-3-methyl-7-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 92630867
7-[(3S)-1-[3-(4-fluorophenyl)propanoyl]piperidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 92630847
7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 124978988
1,3-dimethyl-7-[(3R)-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 124987444
1,3-dimethyl-7-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127251304
7-(1-benzylpiperidin-3-yl)-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264735
7-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110264732
2-(2-methylimidazol-1-yl)-6-[1-(2-phenylethyl)piperidin-3-yl]pyridine
CID 110266022
7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 124962993
1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 92630868
1-(2-methoxyethyl)-3-methyl-7-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 110267048

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 110264730) is 1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc(C3CCCN(CCc4ccccc4)C3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is OEPUJSHUAHHCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-24-20-18(21(27)25(2)22(24)28)10-11-19(23-20)17-9-6-13-26(15-17)14-12-16-7-4-3-5-8-16/h3-5,7-8,10-11,17H,6,9,12-15H2,1-2H3.
What are the key properties of 1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 378.48 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 110264730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).