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

C14H21N3O3 — CID 136972391

IUPAC2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCC(C)c1nc(N2CCCCC2(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-9(2)12-15-10(8-11(18)16-12)17-7-5-4-6-14(17,3)13(19)20/h8-9H,4-7H2,1-3H3,(H,19,20)(H,15,16,18)
InChIKeyZMFXWXVPKLIOFE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.73
Rot. Bonds3

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

2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 136972391) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID136972391
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCC(C)c1nc(N2CCCCC2(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-9(2)12-15-10(8-11(18)16-12)17-7-5-4-6-14(17,3)13(19)20/h8-9H,4-7H2,1-3H3,(H,19,20)(H,15,16,18)
InChIKeyZMFXWXVPKLIOFE-UHFFFAOYSA-N
XLogP1.73
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid with MolForge

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Related Compounds

2-Methyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]piperidine-2-carboxylic acid
CID 86284831
(2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 99973590
(2R)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 99973591
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
CID 136672024
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
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689827
3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689829
3,3-dimethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689830
3,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689831
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689832
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid (CID 136972391) is 2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid is CC(C)c1nc(N2CCCCC2(C)C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is ZMFXWXVPKLIOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)12-15-10(8-11(18)16-12)17-7-5-4-6-14(17,3)13(19)20/h8-9H,4-7H2,1-3H3,(H,19,20)(H,15,16,18).
What are the key properties of 2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.73, 3 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-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 136972391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).