ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate

C14H22N4O3 — CID 62938971

IUPACethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nccn(CC)c2=O)CC1
InChIInChI=1S/C14H22N4O3/c1-3-17-10-7-15-12(13(17)19)16-11-5-8-18(9-6-11)14(20)21-4-2/h7,10-11H,3-6,8-9H2,1-2H3,(H,15,16)
InChIKeyMJHLPBHSMWZAPO-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.30
Rot. Bonds4

About ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate

ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 62938971) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID62938971
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Nameethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nccn(CC)c2=O)CC1
InChIInChI=1S/C14H22N4O3/c1-3-17-10-7-15-12(13(17)19)16-11-5-8-18(9-6-11)14(20)21-4-2/h7,10-11H,3-6,8-9H2,1-2H3,(H,15,16)
InChIKeyMJHLPBHSMWZAPO-UHFFFAOYSA-N
XLogP1.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 136973814
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one
CID 124515152
3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid
CID 167780781
ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 105366689
ethyl 4-(imidazo[1,2-a]pyridin-5-ylamino)piperidine-1-carboxylate
CID 102625354
ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate
CID 103077884
ethyl 4-[[2-(methylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 80772893
ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate
CID 43776811
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate (CID 62938971) is ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nccn(CC)c2=O)CC1.
What is the InChIKey of ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is MJHLPBHSMWZAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-17-10-7-15-12(13(17)19)16-11-5-8-18(9-6-11)14(20)21-4-2/h7,10-11H,3-6,8-9H2,1-2H3,(H,15,16).
What are the key properties of ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 294.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 62938971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).