methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate

C13H19N3O3 — CID 136989702

IUPACmethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCCc1nc(N2CCCCC2C(=O)OC)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-3-10-14-11(8-12(17)15-10)16-7-5-4-6-9(16)13(18)19-2/h8-9H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyQBRUBGXATQGWSM-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.86
Rot. Bonds3

About methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate

methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate (PubChem CID 136989702) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
PubChem CID136989702
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCCc1nc(N2CCCCC2C(=O)OC)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-3-10-14-11(8-12(17)15-10)16-7-5-4-6-9(16)13(18)19-2/h8-9H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyQBRUBGXATQGWSM-UHFFFAOYSA-N
XLogP0.86
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689832
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896338
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896339
3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896342
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896344
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958330
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958331
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958332
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958441
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958442

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate (CID 136989702) is methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate is CCc1nc(N2CCCCC2C(=O)OC)cc(=O)[nH]1.
What is the InChIKey of methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The InChIKey is QBRUBGXATQGWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-10-14-11(8-12(17)15-10)16-7-5-4-6-9(16)13(18)19-2/h8-9H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate is sourced from PubChem (CID 136989702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).