ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate

C12H17N3O2 — CID 94561753

IUPACethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C12H17N3O2/c1-2-17-12(16)10-4-3-7-15(9-10)11-8-13-5-6-14-11/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m1/s1
InChIKeyNLTCFQOTJZGXAD-SNVBAGLBSA-N
MW235.29 g/mol
LogP1.26
Rot. Bonds3

About ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate

ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate (PubChem CID 94561753) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate
PubChem CID94561753
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C12H17N3O2/c1-2-17-12(16)10-4-3-7-15(9-10)11-8-13-5-6-14-11/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m1/s1
InChIKeyNLTCFQOTJZGXAD-SNVBAGLBSA-N
XLogP1.26
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate (CID 94561753) is ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate?
The InChIKey is NLTCFQOTJZGXAD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-17-12(16)10-4-3-7-15(9-10)11-8-13-5-6-14-11/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m1/s1.
What are the key properties of ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate?
ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-pyrazin-2-ylpiperidine-3-carboxylate is sourced from PubChem (CID 94561753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).