2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C17H24N4O — CID 119925708

IUPAC2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCCC(C(C)N)C3)nc12
InChIInChI=1S/C17H24N4O/c1-12-5-3-8-21-16(22)9-15(19-17(12)21)11-20-7-4-6-14(10-20)13(2)18/h3,5,8-9,13-14H,4,6-7,10-11,18H2,1-2H3
InChIKeyMJNPOKKXKFNFHZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.56
Rot. Bonds3

About 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 119925708) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID119925708
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCCC(C(C)N)C3)nc12
InChIInChI=1S/C17H24N4O/c1-12-5-3-8-21-16(22)9-15(19-17(12)21)11-20-7-4-6-14(10-20)13(2)18/h3,5,8-9,13-14H,4,6-7,10-11,18H2,1-2H3
InChIKeyMJNPOKKXKFNFHZ-UHFFFAOYSA-N
XLogP1.56
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.56
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]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 119925708) is 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN3CCCC(C(C)N)C3)nc12.
What is the InChIKey of 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MJNPOKKXKFNFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-5-3-8-21-16(22)9-15(19-17(12)21)11-20-7-4-6-14(10-20)13(2)18/h3,5,8-9,13-14H,4,6-7,10-11,18H2,1-2H3.
What are the key properties of 2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 300.41 g/mol, XLogP of 1.56, 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]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 119925708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).