ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate

C21H27N5O3 — CID 109280917

IUPACethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnc(NC(C)c3ccccc3)cn2)CC1
InChIInChI=1S/C21H27N5O3/c1-3-29-21(28)26-11-9-17(10-12-26)25-20(27)18-13-23-19(14-22-18)24-15(2)16-7-5-4-6-8-16/h4-8,13-15,17H,3,9-12H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyCWKNNVPNPILIAI-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.00
Rot. Bonds6

About ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109280917) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109280917
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Nameethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnc(NC(C)c3ccccc3)cn2)CC1
InChIInChI=1S/C21H27N5O3/c1-3-29-21(28)26-11-9-17(10-12-26)25-20(27)18-13-23-19(14-22-18)24-15(2)16-7-5-4-6-8-16/h4-8,13-15,17H,3,9-12H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyCWKNNVPNPILIAI-UHFFFAOYSA-N
XLogP3.00
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 109286243
ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate
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CID 18120666
ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194072
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 109276069
ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate
CID 60614184
ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109215840
ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109184058
ethyl 4-[[6-(cyclohexylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109363822

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate (CID 109280917) is ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cnc(NC(C)c3ccccc3)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is CWKNNVPNPILIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-3-29-21(28)26-11-9-17(10-12-26)25-20(27)18-13-23-19(14-22-18)24-15(2)16-7-5-4-6-8-16/h4-8,13-15,17H,3,9-12H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109280917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).