5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid

C17H19N3O4 — CID 122117155

IUPAC5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cccn2c(=O)c(C(=O)N3CC(C)CC(C(=O)O)C3)cnc12
InChIInChI=1S/C17H19N3O4/c1-10-6-12(17(23)24)9-19(8-10)15(21)13-7-18-14-11(2)4-3-5-20(14)16(13)22/h3-5,7,10,12H,6,8-9H2,1-2H3,(H,23,24)
InChIKeyHWLPPUOUKSBHTJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.19
Rot. Bonds2

About 5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid

5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122117155) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID122117155
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cccn2c(=O)c(C(=O)N3CC(C)CC(C(=O)O)C3)cnc12
InChIInChI=1S/C17H19N3O4/c1-10-6-12(17(23)24)9-19(8-10)15(21)13-7-18-14-11(2)4-3-5-20(14)16(13)22/h3-5,7,10,12H,6,8-9H2,1-2H3,(H,23,24)
InChIKeyHWLPPUOUKSBHTJ-UHFFFAOYSA-N
XLogP1.19
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid (CID 122117155) is 5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid is Cc1cccn2c(=O)c(C(=O)N3CC(C)CC(C(=O)O)C3)cnc12.
What is the InChIKey of 5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is HWLPPUOUKSBHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10-6-12(17(23)24)9-19(8-10)15(21)13-7-18-14-11(2)4-3-5-20(14)16(13)22/h3-5,7,10,12H,6,8-9H2,1-2H3,(H,23,24).
What are the key properties of 5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid?
5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122117155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).