2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C23H27N3O2 — CID 17416419

IUPAC2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CCC2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-28-21-9-7-18(8-10-21)5-6-19-11-14-25(15-12-19)17-20-16-23(27)26-13-3-2-4-22(26)24-20/h2-4,7-10,13,16,19H,5-6,11-12,14-15,17H2,1H3
InChIKeyPGWVBLQMMPHCFN-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.55
Rot. Bonds6

About 2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 17416419) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID17416419
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CCC2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1
InChIInChI=1S/C23H27N3O2/c1-28-21-9-7-18(8-10-21)5-6-19-11-14-25(15-12-19)17-20-16-23(27)26-13-3-2-4-22(26)24-20/h2-4,7-10,13,16,19H,5-6,11-12,14-15,17H2,1H3
InChIKeyPGWVBLQMMPHCFN-UHFFFAOYSA-N
XLogP3.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 17416419) is 2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is COc1ccc(CCC2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1.
What is the InChIKey of 2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PGWVBLQMMPHCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-28-21-9-7-18(8-10-21)5-6-19-11-14-25(15-12-19)17-20-16-23(27)26-13-3-2-4-22(26)24-20/h2-4,7-10,13,16,19H,5-6,11-12,14-15,17H2,1H3.
What are the key properties of 2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 377.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 17416419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).