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

C16H24N4O — CID 92586342

IUPAC1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1
InChIInChI=1S/C16H24N4O/c1-2-3-15(21)20-8-5-12(6-9-20)16-18-11-13-10-17-7-4-14(13)19-16/h11-12,17H,2-10H2,1H3
InChIKeyARZVVBBVHGXFAS-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.63
Rot. Bonds3

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

1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 92586342) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one
PubChem CID92586342
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1
InChIInChI=1S/C16H24N4O/c1-2-3-15(21)20-8-5-12(6-9-20)16-18-11-13-10-17-7-4-14(13)19-16/h11-12,17H,2-10H2,1H3
InChIKeyARZVVBBVHGXFAS-UHFFFAOYSA-N
XLogP1.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one (CID 92586342) is 1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1.
What is the InChIKey of 1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is ARZVVBBVHGXFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-3-15(21)20-8-5-12(6-9-20)16-18-11-13-10-17-7-4-14(13)19-16/h11-12,17H,2-10H2,1H3.
What are the key properties of 1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one?
1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 288.39 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 92586342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).