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

C17H21N3O3 — CID 171114964

IUPAC1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid
SMILESCc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)O)CC1
InChIInChI=1S/C17H21N3O3/c1-12-14(16(21)20-8-3-2-4-15(20)18-12)7-11-19-9-5-13(6-10-19)17(22)23/h2-4,8,13H,5-7,9-11H2,1H3,(H,22,23)
InChIKeyFUGQEKFWFYLXLJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.34
Rot. Bonds4

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

1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid (PubChem CID 171114964) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid
PubChem CID171114964
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid
SMILESCc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)O)CC1
InChIInChI=1S/C17H21N3O3/c1-12-14(16(21)20-8-3-2-4-15(20)18-12)7-11-19-9-5-13(6-10-19)17(22)23/h2-4,8,13H,5-7,9-11H2,1H3,(H,22,23)
InChIKeyFUGQEKFWFYLXLJ-UHFFFAOYSA-N
XLogP1.34
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid (CID 171114964) is 1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid is Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is FUGQEKFWFYLXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-14(16(21)20-8-3-2-4-15(20)18-12)7-11-19-9-5-13(6-10-19)17(22)23/h2-4,8,13H,5-7,9-11H2,1H3,(H,22,23).
What are the key properties of 1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid?
1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 171114964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).