ethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate

C18H23N3O3 — CID 46807525

IUPACethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cc(=O)n3cccc(C)c3n2)C1
InChIInChI=1S/C18H23N3O3/c1-3-24-18(23)14-7-5-8-20(11-14)12-15-10-16(22)21-9-4-6-13(2)17(21)19-15/h4,6,9-10,14H,3,5,7-8,11-12H2,1-2H3
InChIKeyAJLFYKAWNSSVNF-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.78
Rot. Bonds4

About ethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate

ethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate (PubChem CID 46807525) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate
PubChem CID46807525
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nameethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cc(=O)n3cccc(C)c3n2)C1
InChIInChI=1S/C18H23N3O3/c1-3-24-18(23)14-7-5-8-20(11-14)12-15-10-16(22)21-9-4-6-13(2)17(21)19-15/h4,6,9-10,14H,3,5,7-8,11-12H2,1-2H3
InChIKeyAJLFYKAWNSSVNF-UHFFFAOYSA-N
XLogP1.78
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate (CID 46807525) is ethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2cc(=O)n3cccc(C)c3n2)C1.
What is the InChIKey of ethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate?
The InChIKey is AJLFYKAWNSSVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-24-18(23)14-7-5-8-20(11-14)12-15-10-16(22)21-9-4-6-13(2)17(21)19-15/h4,6,9-10,14H,3,5,7-8,11-12H2,1-2H3.
What are the key properties of ethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate?
ethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 46807525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).