6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

C22H25N5O4 — CID 36702710

IUPAC6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)cnc21
InChIInChI=1S/C22H25N5O4/c1-3-8-27-19-16(20(28)24-22(27)30)13-15(14-23-19)21(29)26-11-9-25(10-12-26)17-6-4-5-7-18(17)31-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,24,28,30)
InChIKeyFDOBDHYUCMJYLF-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.47
Rot. Bonds5

About 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 36702710) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID36702710
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)cnc21
InChIInChI=1S/C22H25N5O4/c1-3-8-27-19-16(20(28)24-22(27)30)13-15(14-23-19)21(29)26-11-9-25(10-12-26)17-6-4-5-7-18(17)31-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,24,28,30)
InChIKeyFDOBDHYUCMJYLF-UHFFFAOYSA-N
XLogP1.47
TPSA100.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
(5-hydroxy-3-pyridinyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854337
6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175983
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
[4-(2-methoxyphenyl)piperazin-1-yl]-([1,2,5]thiadiazolo[3,4-b]pyridin-6-yl)methanone
CID 91948945
N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46554711
7-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58575129
[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249260
(3,5-dichloro-4-heptoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 18848584
N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553241
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132
(4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 112759903

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (CID 36702710) is 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)cnc21.
What is the InChIKey of 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FDOBDHYUCMJYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-3-8-27-19-16(20(28)24-22(27)30)13-15(14-23-19)21(29)26-11-9-25(10-12-26)17-6-4-5-7-18(17)31-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,24,28,30).
What are the key properties of 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 423.47 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 36702710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).