2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione

C23H26N4O3 — CID 67243853

IUPAC2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione
SMILESCn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(=O)[nH]ccc2c1=O
InChIInChI=1S/C23H26N4O3/c1-26-21(25-20-19(23(26)29)9-12-24-22(20)28)15-5-7-17(8-6-15)30-18-10-13-27(14-11-18)16-3-2-4-16/h5-9,12,16,18H,2-4,10-11,13-14H2,1H3,(H,24,28)
InChIKeyHIEBSLVLDWUBOQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.68
Rot. Bonds4

About 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione

2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione (PubChem CID 67243853) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione.

Molecular Properties

Compound Name2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione
PubChem CID67243853
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione
SMILESCn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(=O)[nH]ccc2c1=O
InChIInChI=1S/C23H26N4O3/c1-26-21(25-20-19(23(26)29)9-12-24-22(20)28)15-5-7-17(8-6-15)30-18-10-13-27(14-11-18)16-3-2-4-16/h5-9,12,16,18H,2-4,10-11,13-14H2,1H3,(H,24,28)
InChIKeyHIEBSLVLDWUBOQ-UHFFFAOYSA-N
XLogP2.68
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione with MolForge

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Related Compounds

4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 59651877
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
CID 11501983
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
CID 68789971
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522853
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one
CID 23151327
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one
CID 172752765
3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one
CID 24993806
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 11677714
3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one
CID 59830596
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
CID 66784665
4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-propan-2-ylpyridin-2-one
CID 11710659

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione?
The IUPAC name of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione (CID 67243853) is 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione.
What is the SMILES notation for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione?
The canonical SMILES for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione is Cn1c(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nc2c(=O)[nH]ccc2c1=O.
What is the InChIKey of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione?
The InChIKey is HIEBSLVLDWUBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-26-21(25-20-19(23(26)29)9-12-24-22(20)28)15-5-7-17(8-6-15)30-18-10-13-27(14-11-18)16-3-2-4-16/h5-9,12,16,18H,2-4,10-11,13-14H2,1H3,(H,24,28).
What are the key properties of 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione?
2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione has a molecular weight of 406.49 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione is sourced from PubChem (CID 67243853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).