2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C15H20N4O — CID 61296144

IUPAC2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCCC(N)C3)cc(=O)n2c1
InChIInChI=1S/C15H20N4O/c1-11-4-5-14-17-13(7-15(20)19(14)8-11)10-18-6-2-3-12(16)9-18/h4-5,7-8,12H,2-3,6,9-10,16H2,1H3
InChIKeyNAKJHKDEBQFFEM-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.93
Rot. Bonds2

About 2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 61296144) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID61296144
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCCC(N)C3)cc(=O)n2c1
InChIInChI=1S/C15H20N4O/c1-11-4-5-14-17-13(7-15(20)19(14)8-11)10-18-6-2-3-12(16)9-18/h4-5,7-8,12H,2-3,6,9-10,16H2,1H3
InChIKeyNAKJHKDEBQFFEM-UHFFFAOYSA-N
XLogP0.93
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 61296144) is 2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCCC(N)C3)cc(=O)n2c1.
What is the InChIKey of 2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NAKJHKDEBQFFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-4-5-14-17-13(7-15(20)19(14)8-11)10-18-6-2-3-12(16)9-18/h4-5,7-8,12H,2-3,6,9-10,16H2,1H3.
What are the key properties of 2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.35 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 61296144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).