3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C17H23ClN4O2 — CID 119592864

IUPAC3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1ccc2ncc(C(=O)N3CCCC(C(C)N)C3)c(=O)n2c1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-11-5-6-15-19-8-14(17(23)21(15)9-11)16(22)20-7-3-4-13(10-20)12(2)18;/h5-6,8-9,12-13H,3-4,7,10,18H2,1-2H3;1H
InChIKeyCRKZOKHOQUHPHB-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.62
Rot. Bonds2

About 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 119592864) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID119592864
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1ccc2ncc(C(=O)N3CCCC(C(C)N)C3)c(=O)n2c1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-11-5-6-15-19-8-14(17(23)21(15)9-11)16(22)20-7-3-4-13(10-20)12(2)18;/h5-6,8-9,12-13H,3-4,7,10,18H2,1-2H3;1H
InChIKeyCRKZOKHOQUHPHB-UHFFFAOYSA-N
XLogP1.62
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 119592864) is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1ccc2ncc(C(=O)N3CCCC(C(C)N)C3)c(=O)n2c1.Cl.
What is the InChIKey of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is CRKZOKHOQUHPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-11-5-6-15-19-8-14(17(23)21(15)9-11)16(22)20-7-3-4-13(10-20)12(2)18;/h5-6,8-9,12-13H,3-4,7,10,18H2,1-2H3;1H.
What are the key properties of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 119592864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).