N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine

C24H25F3N4 — CID 118308639

IUPACN-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine
SMILESFc1ccc(F)c(C(F)C2CCN(c3nc4ccccc4nc3NC3CCC3)CC2)c1
InChIInChI=1S/C24H25F3N4/c25-16-8-9-19(26)18(14-16)22(27)15-10-12-31(13-11-15)24-23(28-17-4-3-5-17)29-20-6-1-2-7-21(20)30-24/h1-2,6-9,14-15,17,22H,3-5,10-13H2,(H,28,29)
InChIKeyRREIVSCTUBJMSR-UHFFFAOYSA-N
MW426.49 g/mol
LogP5.80
Rot. Bonds5

About N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine

N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine (PubChem CID 118308639) has the molecular formula C24H25F3N4 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine
PubChem CID118308639
Molecular FormulaC24H25F3N4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC NameN-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine
SMILESFc1ccc(F)c(C(F)C2CCN(c3nc4ccccc4nc3NC3CCC3)CC2)c1
InChIInChI=1S/C24H25F3N4/c25-16-8-9-19(26)18(14-16)22(27)15-10-12-31(13-11-15)24-23(28-17-4-3-5-17)29-20-6-1-2-7-21(20)30-24/h1-2,6-9,14-15,17,22H,3-5,10-13H2,(H,28,29)
InChIKeyRREIVSCTUBJMSR-UHFFFAOYSA-N
XLogP5.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-2-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxaline-6-carbonitrile
CID 90038346
N-cyclopropyl-3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308584
[1-[2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]-(3-methoxyazetidin-1-yl)methanone;N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine
CID 118308605
N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 90038649
N-cyclopropyl-3-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 127024295
7-chloro-N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 127024110
N-cyclopropyl-3-[4-[fluoro-(4-fluorophenyl)methyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine
CID 118308577
5-(cyclopropylamino)-6-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 118319046
N-cyclobutyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90037561
N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine
CID 118308643
N-cyclopropyl-3-[4-[(R)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 155569033
N-cyclopropyl-2-[4-[(2,4-difluorophenyl)methyl]piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazin-3-amine
CID 118308506

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine?
The IUPAC name of N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine (CID 118308639) is N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine.
What is the SMILES notation for N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine?
The canonical SMILES for N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine is Fc1ccc(F)c(C(F)C2CCN(c3nc4ccccc4nc3NC3CCC3)CC2)c1.
What is the InChIKey of N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine?
The InChIKey is RREIVSCTUBJMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4/c25-16-8-9-19(26)18(14-16)22(27)15-10-12-31(13-11-15)24-23(28-17-4-3-5-17)29-20-6-1-2-7-21(20)30-24/h1-2,6-9,14-15,17,22H,3-5,10-13H2,(H,28,29).
What are the key properties of N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine?
N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine has a molecular weight of 426.49 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[4-[(2,5-difluorophenyl)-fluoromethyl]piperidin-1-yl]quinoxalin-2-amine is sourced from PubChem (CID 118308639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).