ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate

C14H19N3O3 — CID 155405233

IUPACethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnc(C)nc2)CC1
InChIInChI=1S/C14H19N3O3/c1-3-20-14(19)11-4-6-17(7-5-11)13(18)12-8-15-10(2)16-9-12/h8-9,11H,3-7H2,1-2H3
InChIKeyCRWLWHDPLIXRAV-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.20
Rot. Bonds3

About ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate

ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate (PubChem CID 155405233) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
PubChem CID155405233
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnc(C)nc2)CC1
InChIInChI=1S/C14H19N3O3/c1-3-20-14(19)11-4-6-17(7-5-11)13(18)12-8-15-10(2)16-9-12/h8-9,11H,3-7H2,1-2H3
InChIKeyCRWLWHDPLIXRAV-UHFFFAOYSA-N
XLogP1.20
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
ethyl 1-[5-chloro-6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]piperidine-4-carboxylate
CID 91952931
ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
CID 103803169
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
CID 84573349
2-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19502953
ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 43623389
ethyl 1-(1,3-benzodioxole-5-carbonyl)piperidine-4-carboxylate
CID 660812
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate
CID 44783014

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate (CID 155405233) is ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cnc(C)nc2)CC1.
What is the InChIKey of ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate?
The InChIKey is CRWLWHDPLIXRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-20-14(19)11-4-6-17(7-5-11)13(18)12-8-15-10(2)16-9-12/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate?
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 155405233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).