ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate

C16H19N5O3 — CID 798084

IUPACethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2ccc3nccnc3c2)CC1
InChIInChI=1S/C16H19N5O3/c1-2-24-16(23)21-9-7-20(8-10-21)15(22)19-12-3-4-13-14(11-12)18-6-5-17-13/h3-6,11H,2,7-10H2,1H3,(H,19,22)
InChIKeyJEOFEORCKBWRPW-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.94
Rot. Bonds2

About ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate

ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate (PubChem CID 798084) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate
PubChem CID798084
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Nameethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2ccc3nccnc3c2)CC1
InChIInChI=1S/C16H19N5O3/c1-2-24-16(23)21-9-7-20(8-10-21)15(22)19-12-3-4-13-14(11-12)18-6-5-17-13/h3-6,11H,2,7-10H2,1H3,(H,19,22)
InChIKeyJEOFEORCKBWRPW-UHFFFAOYSA-N
XLogP1.94
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-quinoxalin-6-ylpiperidine-1-carboxamide
CID 798080
ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate
CID 72889347
ethyl 4-[[5-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-2,6-dimethyl-3-pyridinyl]carbamoyl]piperazine-1-carboxylate
CID 4616185
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
ethyl 4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]piperazine-1-carboxylate
CID 108873457
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
N-(3-chloro-4-methylphenyl)-4-(3-ethoxypyrazin-2-yl)piperazine-1-carboxamide
CID 166227505
ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate
CID 60617047
ethyl 4-[(2-methylsulfanylphenyl)carbamoyl]piperazine-1-carboxylate
CID 3351841
ethyl 4-(2,1-benzoxazol-6-ylcarbamothioyl)piperazine-1-carboxylate
CID 126201367
ethyl 1-[[4-[(1-ethoxycarbonylpiperidine-4-carbonyl)amino]phenyl]carbamoyl]piperidine-4-carboxylate
CID 3240420
tert-butyl 4-[(4-ethoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 46743132

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate (CID 798084) is ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Nc2ccc3nccnc3c2)CC1.
What is the InChIKey of ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is JEOFEORCKBWRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-2-24-16(23)21-9-7-20(8-10-21)15(22)19-12-3-4-13-14(11-12)18-6-5-17-13/h3-6,11H,2,7-10H2,1H3,(H,19,22).
What are the key properties of ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate?
ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 798084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).