ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate

C33H36N4O2 — CID 67041967

IUPACethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(N3CCC(c4ccccc4)CC3)c(N3CCC(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C33H36N4O2/c1-2-39-33(38)28-13-14-29-30(23-28)35-32(37-21-17-27(18-22-37)25-11-7-4-8-12-25)31(34-29)36-19-15-26(16-20-36)24-9-5-3-6-10-24/h3-14,23,26-27H,2,15-22H2,1H3
InChIKeyLFLDYVWGCOJRRV-UHFFFAOYSA-N
MW520.68 g/mol
LogP6.57
Rot. Bonds6

About ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate

ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate (PubChem CID 67041967) has the molecular formula C33H36N4O2 and a molecular weight of 520.68 g/mol. Its IUPAC name is ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate
PubChem CID67041967
Molecular FormulaC33H36N4O2
Molecular Weight520.68 g/mol
Exact Mass520.28
IUPAC Nameethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(N3CCC(c4ccccc4)CC3)c(N3CCC(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C33H36N4O2/c1-2-39-33(38)28-13-14-29-30(23-28)35-32(37-21-17-27(18-22-37)25-11-7-4-8-12-25)31(34-29)36-19-15-26(16-20-36)24-9-5-3-6-10-24/h3-14,23,26-27H,2,15-22H2,1H3
InChIKeyLFLDYVWGCOJRRV-UHFFFAOYSA-N
XLogP6.57
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate?
The IUPAC name of ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate (CID 67041967) is ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate.
What is the SMILES notation for ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate?
The canonical SMILES for ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate is CCOC(=O)c1ccc2nc(N3CCC(c4ccccc4)CC3)c(N3CCC(c4ccccc4)CC3)nc2c1.
What is the InChIKey of ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate?
The InChIKey is LFLDYVWGCOJRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O2/c1-2-39-33(38)28-13-14-29-30(23-28)35-32(37-21-17-27(18-22-37)25-11-7-4-8-12-25)31(34-29)36-19-15-26(16-20-36)24-9-5-3-6-10-24/h3-14,23,26-27H,2,15-22H2,1H3.
What are the key properties of ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate?
ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate has a molecular weight of 520.68 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 67041967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).