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

C14H21N3O3 — CID 137007743

IUPACethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C14H21N3O3/c1-3-11-15-12(9-13(18)16-11)17-8-6-5-7-10(17)14(19)20-4-2/h9-10H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyASYWAXZCJUULRI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.25
Rot. Bonds4

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

ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate (PubChem CID 137007743) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
PubChem CID137007743
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C14H21N3O3/c1-3-11-15-12(9-13(18)16-11)17-8-6-5-7-10(17)14(19)20-4-2/h9-10H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyASYWAXZCJUULRI-UHFFFAOYSA-N
XLogP1.25
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-2-carboxylate
CID 136741430
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689832
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-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958442
2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136972391
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
CID 136972394
4-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136972429

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate (CID 137007743) is ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1cc(=O)[nH]c(CC)n1.
What is the InChIKey of ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The InChIKey is ASYWAXZCJUULRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-11-15-12(9-13(18)16-11)17-8-6-5-7-10(17)14(19)20-4-2/h9-10H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate is sourced from PubChem (CID 137007743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).