1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid

C11H17N3O3 — CID 53337389

IUPAC1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCC1=CC(=O)NC(N2CCC(C(=O)O)CC2)N1
InChIInChI=1S/C11H17N3O3/c1-7-6-9(15)13-11(12-7)14-4-2-8(3-5-14)10(16)17/h6,8,11-12H,2-5H2,1H3,(H,13,15)(H,16,17)
InChIKeyJLCJDUIPCQDKCH-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.31
Rot. Bonds2

About 1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid

1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 53337389) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID53337389
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCC1=CC(=O)NC(N2CCC(C(=O)O)CC2)N1
InChIInChI=1S/C11H17N3O3/c1-7-6-9(15)13-11(12-7)14-4-2-8(3-5-14)10(16)17/h6,8,11-12H,2-5H2,1H3,(H,13,15)(H,16,17)
InChIKeyJLCJDUIPCQDKCH-UHFFFAOYSA-N
XLogP-0.31
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid (CID 53337389) is 1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid is CC1=CC(=O)NC(N2CCC(C(=O)O)CC2)N1.
What is the InChIKey of 1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is JLCJDUIPCQDKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-6-9(15)13-11(12-7)14-4-2-8(3-5-14)10(16)17/h6,8,11-12H,2-5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-oxo-2,3-dihydro-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 53337389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).