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

C18H23N3O3 — CID 56806905

IUPAC(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate
SMILESCCN1CCCCC1C(=O)OCc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C18H23N3O3/c1-3-20-9-5-4-8-15(20)18(23)24-12-14-11-16(22)21-10-6-7-13(2)17(21)19-14/h6-7,10-11,15H,3-5,8-9,12H2,1-2H3
InChIKeyFFOSQKBNSNGEOW-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.92
Rot. Bonds4

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

(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate (PubChem CID 56806905) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate.

Molecular Properties

Compound Name(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate
PubChem CID56806905
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate
SMILESCCN1CCCCC1C(=O)OCc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C18H23N3O3/c1-3-20-9-5-4-8-15(20)18(23)24-12-14-11-16(22)21-10-6-7-13(2)17(21)19-14/h6-7,10-11,15H,3-5,8-9,12H2,1-2H3
InChIKeyFFOSQKBNSNGEOW-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate?
The IUPAC name of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate (CID 56806905) is (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate.
What is the SMILES notation for (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate?
The canonical SMILES for (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate is CCN1CCCCC1C(=O)OCc1cc(=O)n2cccc(C)c2n1.
What is the InChIKey of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate?
The InChIKey is FFOSQKBNSNGEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-20-9-5-4-8-15(20)18(23)24-12-14-11-16(22)21-10-6-7-13(2)17(21)19-14/h6-7,10-11,15H,3-5,8-9,12H2,1-2H3.
What are the key properties of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate?
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-ethylpiperidine-2-carboxylate is sourced from PubChem (CID 56806905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).