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

C13H19N3O3 — CID 135935331

IUPACethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C13H19N3O3/c1-3-19-12(18)10-4-6-16(7-5-10)13-14-9(2)8-11(17)15-13/h8,10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyQVUBJHVBVQYCFI-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.86
Rot. Bonds3

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

ethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 135935331) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID135935331
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C13H19N3O3/c1-3-19-12(18)10-4-6-16(7-5-10)13-14-9(2)8-11(17)15-13/h8,10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyQVUBJHVBVQYCFI-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

1-(4-Hydroxy-6-trifluoromethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid ethyl ester
CID 136741357
Ethyl 1-(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxylate
CID 135646540
ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
CID 164998005
1-(1,4-Dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 97619926
ethyl 1-[N'-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155971
ethyl 1-[N'-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]carbamimidoyl]piperidine-4-carboxylate
CID 111155972
ethyl 1-[N-ethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156414
ethyl 1-[N-ethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]carbamimidoyl]piperidine-4-carboxylate
CID 111156415
methyl 1-[N'-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254797
1-(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 135629609
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
CID 135708180
1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide
CID 135875007

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate (CID 135935331) is ethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc(C)cc(=O)[nH]2)CC1.
What is the InChIKey of ethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is QVUBJHVBVQYCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-12(18)10-4-6-16(7-5-10)13-14-9(2)8-11(17)15-13/h8,10H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of ethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
ethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-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 ethyl 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 135935331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).