6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide

C21H24F2N4O — CID 170439643

IUPAC6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide
SMILESO=C(NCC1CCNCC1)N1CCN(c2ccc(F)cc2)c2cc(F)ccc21
InChIInChI=1S/C21H24F2N4O/c22-16-1-4-18(5-2-16)26-11-12-27(19-6-3-17(23)13-20(19)26)21(28)25-14-15-7-9-24-10-8-15/h1-6,13,15,24H,7-12,14H2,(H,25,28)
InChIKeyPPCNFGVWIQSFDB-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.63
Rot. Bonds3

About 6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide

6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide (PubChem CID 170439643) has the molecular formula C21H24F2N4O and a molecular weight of 386.45 g/mol. Its IUPAC name is 6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide
PubChem CID170439643
Molecular FormulaC21H24F2N4O
Molecular Weight386.45 g/mol
Exact Mass386.19
IUPAC Name6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide
SMILESO=C(NCC1CCNCC1)N1CCN(c2ccc(F)cc2)c2cc(F)ccc21
InChIInChI=1S/C21H24F2N4O/c22-16-1-4-18(5-2-16)26-11-12-27(19-6-3-17(23)13-20(19)26)21(28)25-14-15-7-9-24-10-8-15/h1-6,13,15,24H,7-12,14H2,(H,25,28)
InChIKeyPPCNFGVWIQSFDB-UHFFFAOYSA-N
XLogP3.63
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612365
6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612360
6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612399
tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate
CID 170612392
[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone
CID 170439532
tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
CID 170439513
N-(piperidin-4-ylmethyl)benzo[b][1]benzazepine-11-carboxamide
CID 19609091
6-fluoro-4-methyl-1-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;dihydrochloride
CID 119932660
(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 86779897
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
1-cyclopropyl-6-fluoro-4-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline;hydrochloride
CID 120856024
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide?
The IUPAC name of 6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide (CID 170439643) is 6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for 6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for 6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide is O=C(NCC1CCNCC1)N1CCN(c2ccc(F)cc2)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide?
The InChIKey is PPCNFGVWIQSFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O/c22-16-1-4-18(5-2-16)26-11-12-27(19-6-3-17(23)13-20(19)26)21(28)25-14-15-7-9-24-10-8-15/h1-6,13,15,24H,7-12,14H2,(H,25,28).
What are the key properties of 6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide?
6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 170439643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).