ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate

C13H17N3O4 — CID 137147280

IUPACethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C13H17N3O4/c1-2-20-13(19)9-3-5-16(6-4-9)12(18)10-7-11(17)15-8-14-10/h7-9H,2-6H2,1H3,(H,14,15,17)
InChIKeyIYBPKBPFLPHDBU-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.19
Rot. Bonds3

About ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 137147280) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate
PubChem CID137147280
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Nameethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C13H17N3O4/c1-2-20-13(19)9-3-5-16(6-4-9)12(18)10-7-11(17)15-8-14-10/h7-9H,2-6H2,1H3,(H,14,15,17)
InChIKeyIYBPKBPFLPHDBU-UHFFFAOYSA-N
XLogP0.19
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
CID 103803169
ethyl 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxylate
CID 19591205
ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
CID 103874990
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate
CID 4775673
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 1-[(4-oxo-3H-quinazolin-6-yl)carbamothioyl]piperidine-4-carboxylate
CID 135466781
ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
CID 78849118
ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
ethyl 1-(6-methoxypyridine-2-carbonyl)piperidine-4-carboxylate
CID 84580551

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate (CID 137147280) is ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is IYBPKBPFLPHDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-20-13(19)9-3-5-16(6-4-9)12(18)10-7-11(17)15-8-14-10/h7-9H,2-6H2,1H3,(H,14,15,17).
What are the key properties of ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 137147280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).