2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C13H16N4O — CID 43090470

IUPAC2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCNCC2)nc2ccccn12
InChIInChI=1S/C13H16N4O/c18-13-9-11(10-16-7-4-14-5-8-16)15-12-3-1-2-6-17(12)13/h1-3,6,9,14H,4-5,7-8,10H2
InChIKeyRQXHRIPUYWEVNQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.10
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 43090470) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID43090470
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCNCC2)nc2ccccn12
InChIInChI=1S/C13H16N4O/c18-13-9-11(10-16-7-4-14-5-8-16)15-12-3-1-2-6-17(12)13/h1-3,6,9,14H,4-5,7-8,10H2
InChIKeyRQXHRIPUYWEVNQ-UHFFFAOYSA-N
XLogP0.10
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 43090470) is 2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCNCC2)nc2ccccn12.
What is the InChIKey of 2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RQXHRIPUYWEVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-13-9-11(10-16-7-4-14-5-8-16)15-12-3-1-2-6-17(12)13/h1-3,6,9,14H,4-5,7-8,10H2.
What are the key properties of 2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 244.30 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 43090470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).