ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate

C21H25N3O3 — CID 45241974

IUPACethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C21H25N3O3/c1-2-27-20(26)21(11-9-17-7-4-3-5-8-17)10-6-14-24(16-21)19(25)18-15-22-12-13-23-18/h3-5,7-8,12-13,15H,2,6,9-11,14,16H2,1H3
InChIKeyHPPLUGQVWWBXBU-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.89
Rot. Bonds6

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

ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate (PubChem CID 45241974) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
PubChem CID45241974
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Nameethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C21H25N3O3/c1-2-27-20(26)21(11-9-17-7-4-3-5-8-17)10-6-14-24(16-21)19(25)18-15-22-12-13-23-18/h3-5,7-8,12-13,15H,2,6,9-11,14,16H2,1H3
InChIKeyHPPLUGQVWWBXBU-UHFFFAOYSA-N
XLogP2.89
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 45241636
ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 42212234
ethyl (3S)-1-(2,6-dimethylpyrimidine-4-carbonyl)-3-(2-phenylethyl)piperidine-3-carboxylate
CID 25476752
ethyl 3-(3-phenylpropyl)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate
CID 45246320
ethyl 1-(2-methylpyrazole-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 45245881
ethyl (3S)-1-(5-methoxyfuran-2-carbonyl)-3-(2-phenylethyl)piperidine-3-carboxylate
CID 42516014
ethyl (3S)-3-(3-phenylpropyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-3-carboxylate
CID 42517147
ethyl (3S)-3-(2-phenylethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 42291340
ethyl (3S)-3-(3-phenylpropyl)-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylate
CID 42245625
ethyl (3S)-1-(2-methoxyacetyl)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 42384189
ethyl (3S)-1-(1H-indole-5-carbonyl)-3-(2-phenylethyl)piperidine-3-carboxylate
CID 26334422
ethyl 1-[3-(benzimidazol-1-yl)propanoyl]-3-(2-phenylethyl)piperidine-3-carboxylate
CID 45204825

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate (CID 45241974) is ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1(CCc2ccccc2)CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is HPPLUGQVWWBXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-27-20(26)21(11-9-17-7-4-3-5-8-17)10-6-14-24(16-21)19(25)18-15-22-12-13-23-18/h3-5,7-8,12-13,15H,2,6,9-11,14,16H2,1H3.
What are the key properties of ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate?
ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 45241974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).