2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C17H25ClN4O — CID 119925680

IUPAC2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1ccc2nc(CN3CCCC(C(C)N)C3)cc(=O)n2c1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-12-5-6-16-19-15(8-17(22)21(16)9-12)11-20-7-3-4-14(10-20)13(2)18;/h5-6,8-9,13-14H,3-4,7,10-11,18H2,1-2H3;1H
InChIKeyKIWAATDTJUZUHZ-UHFFFAOYSA-N
MW336.87 g/mol
LogP1.98
Rot. Bonds3

About 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 119925680) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID119925680
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1ccc2nc(CN3CCCC(C(C)N)C3)cc(=O)n2c1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-12-5-6-16-19-15(8-17(22)21(16)9-12)11-20-7-3-4-14(10-20)13(2)18;/h5-6,8-9,13-14H,3-4,7,10-11,18H2,1-2H3;1H
InChIKeyKIWAATDTJUZUHZ-UHFFFAOYSA-N
XLogP1.98
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 119925680) is 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1ccc2nc(CN3CCCC(C(C)N)C3)cc(=O)n2c1.Cl.
What is the InChIKey of 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is KIWAATDTJUZUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-12-5-6-16-19-15(8-17(22)21(16)9-12)11-20-7-3-4-14(10-20)13(2)18;/h5-6,8-9,13-14H,3-4,7,10-11,18H2,1-2H3;1H.
What are the key properties of 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 119925680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).