ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate

C15H23N3O3 — CID 115539399

IUPACethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1nccn(C(C)C)c1=O
InChIInChI=1S/C15H23N3O3/c1-4-21-15(20)12-7-5-6-9-18(12)13-14(19)17(11(2)3)10-8-16-13/h8,10-12H,4-7,9H2,1-3H3
InChIKeyDZFRHDZJZQCZER-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.75
Rot. Bonds4

About ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate

ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate (PubChem CID 115539399) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate
PubChem CID115539399
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1nccn(C(C)C)c1=O
InChIInChI=1S/C15H23N3O3/c1-4-21-15(20)12-7-5-6-9-18(12)13-14(19)17(11(2)3)10-8-16-13/h8,10-12H,4-7,9H2,1-3H3
InChIKeyDZFRHDZJZQCZER-UHFFFAOYSA-N
XLogP1.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate
CID 124545322
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CID 62004802
ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
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ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate
CID 113331444
ethyl 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 136989684
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 106837230
ethyl 1-(4-aminophenyl)piperidine-2-carboxylate
CID 21070762
ethyl 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 79718437
ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate
CID 80647768
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate
CID 105363274
methyl 1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidine-2-carboxylate
CID 115538281
ethyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 103583949

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate (CID 115539399) is ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1nccn(C(C)C)c1=O.
What is the InChIKey of ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate?
The InChIKey is DZFRHDZJZQCZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-21-15(20)12-7-5-6-9-18(12)13-14(19)17(11(2)3)10-8-16-13/h8,10-12H,4-7,9H2,1-3H3.
What are the key properties of ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate?
ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115539399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).