1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

C22H24N4O4 — CID 86971359

IUPAC1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C(=O)N3CCCC(COc4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C22H24N4O4/c1-24-19-17(20(27)25(2)22(24)29)10-11-18(23-19)21(28)26-12-6-7-15(13-26)14-30-16-8-4-3-5-9-16/h3-5,8-11,15H,6-7,12-14H2,1-2H3
InChIKeyKGMDNTOLCBFKGV-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.56
Rot. Bonds4

About 1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 86971359) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID86971359
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C(=O)N3CCCC(COc4ccccc4)C3)nc2n(C)c1=O
InChIInChI=1S/C22H24N4O4/c1-24-19-17(20(27)25(2)22(24)29)10-11-18(23-19)21(28)26-12-6-7-15(13-26)14-30-16-8-4-3-5-9-16/h3-5,8-11,15H,6-7,12-14H2,1-2H3
InChIKeyKGMDNTOLCBFKGV-UHFFFAOYSA-N
XLogP1.56
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(3S)-3-ethylpiperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 38902551
7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119595635
1,3-dimethyl-7-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127251304
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 30854687
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
[2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 97156064
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone
CID 166104821
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
(3aS,6aR)-2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682769
(3-chloro-4-ethoxy-5-methoxyphenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971306
7-[3-[[4-(3-hydroxyoxolan-3-yl)triazol-1-yl]methyl]azepane-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 166334555

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 86971359) is 1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc(C(=O)N3CCCC(COc4ccccc4)C3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KGMDNTOLCBFKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-24-19-17(20(27)25(2)22(24)29)10-11-18(23-19)21(28)26-12-6-7-15(13-26)14-30-16-8-4-3-5-9-16/h3-5,8-11,15H,6-7,12-14H2,1-2H3.
What are the key properties of 1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 408.46 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 86971359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).