6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C18H26N4O3 — CID 136796284

IUPAC6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCC(=O)N1CCCCC1c1nc2c(c(=O)[nH]1)CN(C(C)=O)CC2
InChIInChI=1S/C18H26N4O3/c1-3-6-16(24)22-9-5-4-7-15(22)17-19-14-8-10-21(12(2)23)11-13(14)18(25)20-17/h15H,3-11H2,1-2H3,(H,19,20,25)
InChIKeyYFBMNPKDKYLLNL-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.53
Rot. Bonds3

About 6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796284) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136796284
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCC(=O)N1CCCCC1c1nc2c(c(=O)[nH]1)CN(C(C)=O)CC2
InChIInChI=1S/C18H26N4O3/c1-3-6-16(24)22-9-5-4-7-15(22)17-19-14-8-10-21(12(2)23)11-13(14)18(25)20-17/h15H,3-11H2,1-2H3,(H,19,20,25)
InChIKeyYFBMNPKDKYLLNL-UHFFFAOYSA-N
XLogP1.53
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796284) is 6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCC(=O)N1CCCCC1c1nc2c(c(=O)[nH]1)CN(C(C)=O)CC2.
What is the InChIKey of 6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YFBMNPKDKYLLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-6-16(24)22-9-5-4-7-15(22)17-19-14-8-10-21(12(2)23)11-13(14)18(25)20-17/h15H,3-11H2,1-2H3,(H,19,20,25).
What are the key properties of 6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 346.43 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-(1-butanoylpiperidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).