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

C11H15N3O3 — CID 136672026

IUPAC2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H15N3O3/c1-7-4-8(11(16)17)2-3-14(7)9-5-10(15)13-6-12-9/h5-8H,2-4H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyQBPDVGFGNCEIOW-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.46
Rot. Bonds2

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

2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 136672026) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID136672026
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H15N3O3/c1-7-4-8(11(16)17)2-3-14(7)9-5-10(15)13-6-12-9/h5-8H,2-4H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyQBPDVGFGNCEIOW-UHFFFAOYSA-N
XLogP0.46
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
CID 136672024
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
CID 136672025
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
CID 136672027
2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136672028
3,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689831
1-(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136776188
1-(6-Oxo-1,6-dihydropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136854288
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896343
(3S)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914107
(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914108
1-(6-Oxo-1H-pyrimidin-4-YL)piperidine-3-carboxylic acid
CID 136958322
4-methyl-4-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid (CID 136672026) is 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is QBPDVGFGNCEIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-4-8(11(16)17)2-3-14(7)9-5-10(15)13-6-12-9/h5-8H,2-4H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid?
2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 136672026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).