[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone

C25H22F2N4O — CID 67090343

IUPAC[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C25H22F2N4O/c26-20-12-22-23(13-21(20)27)30-24(15-28-22)29-14-17-8-3-4-11-31(17)25(32)19-10-5-7-16-6-1-2-9-18(16)19/h1-2,5-7,9-10,12-13,15,17H,3-4,8,11,14H2,(H,29,30)/t17-/m0/s1
InChIKeyXFTDPMYPAKBGIX-KRWDZBQOSA-N
MW432.47 g/mol
LogP5.17
Rot. Bonds4

About [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone

[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 67090343) has the molecular formula C25H22F2N4O and a molecular weight of 432.47 g/mol. Its IUPAC name is [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone
PubChem CID67090343
Molecular FormulaC25H22F2N4O
Molecular Weight432.47 g/mol
Exact Mass432.18
IUPAC Name[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C25H22F2N4O/c26-20-12-22-23(13-21(20)27)30-24(15-28-22)29-14-17-8-3-4-11-31(17)25(32)19-10-5-7-16-6-1-2-9-18(16)19/h1-2,5-7,9-10,12-13,15,17H,3-4,8,11,14H2,(H,29,30)/t17-/m0/s1
InChIKeyXFTDPMYPAKBGIX-KRWDZBQOSA-N
XLogP5.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone with MolForge

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Related Compounds

[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone
CID 10296530
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 10298609
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone
CID 10227845
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 67090360
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 67090810
1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 138650688
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 67089912
3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 10295783
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 67090606
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]pyrrolidin-1-yl]-[5-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 67090586
2-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carbonyl]-7-fluoro-1-benzofuran-3-one
CID 69308206
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1-methyltriazol-4-yl]methanone
CID 67090365

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone (CID 67090343) is [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1CCCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is XFTDPMYPAKBGIX-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H22F2N4O/c26-20-12-22-23(13-21(20)27)30-24(15-28-22)29-14-17-8-3-4-11-31(17)25(32)19-10-5-7-16-6-1-2-9-18(16)19/h1-2,5-7,9-10,12-13,15,17H,3-4,8,11,14H2,(H,29,30)/t17-/m0/s1.
What are the key properties of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone?
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 432.47 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 67090343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).