3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one

C23H26N4O2 — CID 23151312

IUPAC3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2cnccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-25-22-15-24-12-9-21(22)23(28)27(16)18-5-7-19(8-6-18)29-20-10-13-26(14-11-20)17-3-2-4-17/h5-9,12,15,17,20H,2-4,10-11,13-14H2,1H3
InChIKeyAWUZLCXWWVAKEM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.48
Rot. Bonds4

About 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one

3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 23151312) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one
PubChem CID23151312
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2cnccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-25-22-15-24-12-9-21(22)23(28)27(16)18-5-7-19(8-6-18)29-20-10-13-26(14-11-20)17-3-2-4-17/h5-9,12,15,17,20H,2-4,10-11,13-14H2,1H3
InChIKeyAWUZLCXWWVAKEM-UHFFFAOYSA-N
XLogP3.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one (CID 23151312) is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one is Cc1nc2cnccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is AWUZLCXWWVAKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-25-22-15-24-12-9-21(22)23(28)27(16)18-5-7-19(8-6-18)29-20-10-13-26(14-11-20)17-3-2-4-17/h5-9,12,15,17,20H,2-4,10-11,13-14H2,1H3.
What are the key properties of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one?
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 390.49 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 23151312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).