tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate

C25H30F2N4O3 — CID 170439458

IUPACtert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)N2CCN(c3ccc(F)cc3)c3cc(F)ccc32)CC1
InChIInChI=1S/C25H30F2N4O3/c1-25(2,3)34-24(33)29-12-10-19(11-13-29)28-23(32)31-15-14-30(20-7-4-17(26)5-8-20)22-16-18(27)6-9-21(22)31/h4-9,16,19H,10-15H2,1-3H3,(H,28,32)
InChIKeyHGHWGONTQDOQNZ-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.03
Rot. Bonds2

About tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 170439458) has the molecular formula C25H30F2N4O3 and a molecular weight of 472.54 g/mol. Its IUPAC name is tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate
PubChem CID170439458
Molecular FormulaC25H30F2N4O3
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC Nametert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)N2CCN(c3ccc(F)cc3)c3cc(F)ccc32)CC1
InChIInChI=1S/C25H30F2N4O3/c1-25(2,3)34-24(33)29-12-10-19(11-13-29)28-23(32)31-15-14-30(20-7-4-17(26)5-8-20)22-16-18(27)6-9-21(22)31/h4-9,16,19H,10-15H2,1-3H3,(H,28,32)
InChIKeyHGHWGONTQDOQNZ-UHFFFAOYSA-N
XLogP5.03
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate
CID 170612392
tert-butyl (3R)-3-[[4-(5-fluoro-2-pyridinyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate
CID 170612363
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868532
6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide
CID 170439643
tert-butyl 4-[[1-[(4-fluorophenyl)methyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 169209417
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CID 158658010
tert-butyl 4-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 52731094
tert-butyl 4-[[(Z)-4-(4-fluorophenyl)-4-hydroxy-2-oxobut-3-enoyl]amino]piperidine-1-carboxylate
CID 44577622
tert-butyl (3S)-3-(4-fluoroanilino)pyrrolidine-1-carboxylate
CID 97056055
tert-butyl 4-(4-amino-2-fluoroanilino)piperidine-1-carboxylate
CID 68671753
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate (CID 170439458) is tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCN(c3ccc(F)cc3)c3cc(F)ccc32)CC1.
What is the InChIKey of tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is HGHWGONTQDOQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O3/c1-25(2,3)34-24(33)29-12-10-19(11-13-29)28-23(32)31-15-14-30(20-7-4-17(26)5-8-20)22-16-18(27)6-9-21(22)31/h4-9,16,19H,10-15H2,1-3H3,(H,28,32).
What are the key properties of tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 472.54 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 170439458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).