ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate

C21H25N3O4 — CID 42212234

IUPACethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C21H25N3O4/c1-2-27-20(26)21(10-14-28-17-7-4-3-5-8-17)9-6-13-24(16-21)19(25)18-15-22-11-12-23-18/h3-5,7-8,11-12,15H,2,6,9-10,13-14,16H2,1H3/t21-/m1/s1
InChIKeyWTZYQLXLVGODCJ-OAQYLSRUSA-N
MW383.45 g/mol
LogP2.73
Rot. Bonds7

About ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate

ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate (PubChem CID 42212234) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
PubChem CID42212234
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Nameethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C21H25N3O4/c1-2-27-20(26)21(10-14-28-17-7-4-3-5-8-17)9-6-13-24(16-21)19(25)18-15-22-11-12-23-18/h3-5,7-8,11-12,15H,2,6,9-10,13-14,16H2,1H3/t21-/m1/s1
InChIKeyWTZYQLXLVGODCJ-OAQYLSRUSA-N
XLogP2.73
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 45241974
ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 45241636
ethyl 1-(1H-indazole-3-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45227394
ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 45229594
ethyl (3R)-1-(1-oxidopyridin-1-ium-3-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 25299134
ethyl (3R)-1-[3-(1,2-oxazolidin-2-yl)propanoyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 42245389
ethyl 3-(3-phenylpropyl)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate
CID 45246320
ethyl (3S)-1-(2,6-dimethylpyrimidine-4-carbonyl)-3-(2-phenylethyl)piperidine-3-carboxylate
CID 25476752
ethyl (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 42460285
ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45234907
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 110232465
ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 26329598

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate (CID 42212234) is ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is WTZYQLXLVGODCJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-2-27-20(26)21(10-14-28-17-7-4-3-5-8-17)9-6-13-24(16-21)19(25)18-15-22-11-12-23-18/h3-5,7-8,11-12,15H,2,6,9-10,13-14,16H2,1H3/t21-/m1/s1.
What are the key properties of ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate?
ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 42212234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).