3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C18H24N4O3 — CID 74237899

IUPAC3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCCCN1CCN(C(=O)c2cnc3cccc(C)n3c2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-14-5-3-6-16-19-13-15(18(24)22(14)16)17(23)21-10-8-20(9-11-21)7-4-12-25-2/h3,5-6,13H,4,7-12H2,1-2H3
InChIKeyWUNZOEBYTUNDNZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.80
Rot. Bonds5

About 3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 74237899) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID74237899
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCCCN1CCN(C(=O)c2cnc3cccc(C)n3c2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-14-5-3-6-16-19-13-15(18(24)22(14)16)17(23)21-10-8-20(9-11-21)7-4-12-25-2/h3,5-6,13H,4,7-12H2,1-2H3
InChIKeyWUNZOEBYTUNDNZ-UHFFFAOYSA-N
XLogP0.80
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 74237899) is 3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is COCCCN1CCN(C(=O)c2cnc3cccc(C)n3c2=O)CC1.
What is the InChIKey of 3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WUNZOEBYTUNDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-5-3-6-16-19-13-15(18(24)22(14)16)17(23)21-10-8-20(9-11-21)7-4-12-25-2/h3,5-6,13H,4,7-12H2,1-2H3.
What are the key properties of 3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 344.42 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxypropyl)piperazine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 74237899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).