2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate

C23H23FN4O3 — CID 54040826

IUPAC2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate
SMILESO=C(Nc1cccc2nccnc12)OCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN4O3/c24-18-6-4-16(5-7-18)22(29)17-8-12-28(13-9-17)14-15-31-23(30)27-20-3-1-2-19-21(20)26-11-10-25-19/h1-7,10-11,17H,8-9,12-15H2,(H,27,30)
InChIKeyLMFFDPMSFVPTLD-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.91
Rot. Bonds6

About 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate

2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate (PubChem CID 54040826) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate
PubChem CID54040826
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate
SMILESO=C(Nc1cccc2nccnc12)OCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN4O3/c24-18-6-4-16(5-7-18)22(29)17-8-12-28(13-9-17)14-15-31-23(30)27-20-3-1-2-19-21(20)26-11-10-25-19/h1-7,10-11,17H,8-9,12-15H2,(H,27,30)
InChIKeyLMFFDPMSFVPTLD-UHFFFAOYSA-N
XLogP3.91
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate (CID 54040826) is 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate is O=C(Nc1cccc2nccnc12)OCCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate?
The InChIKey is LMFFDPMSFVPTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c24-18-6-4-16(5-7-18)22(29)17-8-12-28(13-9-17)14-15-31-23(30)27-20-3-1-2-19-21(20)26-11-10-25-19/h1-7,10-11,17H,8-9,12-15H2,(H,27,30).
What are the key properties of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate?
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate has a molecular weight of 422.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate is sourced from PubChem (CID 54040826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).