ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate

C14H19N3O3 — CID 81345143

IUPACethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2cnc(C)cn2)C1
InChIInChI=1S/C14H19N3O3/c1-3-20-14(19)11-5-4-6-17(9-11)13(18)12-8-15-10(2)7-16-12/h7-8,11H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyLHHWJLUKYLSSME-NSHDSACASA-N
MW277.32 g/mol
LogP1.20
Rot. Bonds3

About ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate

ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate (PubChem CID 81345143) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
PubChem CID81345143
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2cnc(C)cn2)C1
InChIInChI=1S/C14H19N3O3/c1-3-20-14(19)11-5-4-6-17(9-11)13(18)12-8-15-10(2)7-16-12/h7-8,11H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyLHHWJLUKYLSSME-NSHDSACASA-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

methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 78919443
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide
CID 77041745
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
ethyl (3S)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxylate
CID 81345352
ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
CID 60859036
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl 1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005584
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate (CID 81345143) is ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)c2cnc(C)cn2)C1.
What is the InChIKey of ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is LHHWJLUKYLSSME-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-20-14(19)11-5-4-6-17(9-11)13(18)12-8-15-10(2)7-16-12/h7-8,11H,3-6,9H2,1-2H3/t11-/m0/s1.
What are the key properties of ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-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 (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 81345143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).