[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone

C26H31F2N5O2 — CID 10227845

IUPAC[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone
SMILESCN(C)CCCOc1ccccc1C(=O)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C26H31F2N5O2/c1-32(2)11-7-13-35-24-10-4-3-9-19(24)26(34)33-12-6-5-8-18(33)16-30-25-17-29-22-14-20(27)21(28)15-23(22)31-25/h3-4,9-10,14-15,17-18H,5-8,11-13,16H2,1-2H3,(H,30,31)
InChIKeyDRJNEXLOEAVTJP-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.35
Rot. Bonds9

About [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone

[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone (PubChem CID 10227845) has the molecular formula C26H31F2N5O2 and a molecular weight of 483.56 g/mol. Its IUPAC name is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone.

Molecular Properties

Compound Name[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone
PubChem CID10227845
Molecular FormulaC26H31F2N5O2
Molecular Weight483.56 g/mol
Exact Mass483.24
IUPAC Name[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone
SMILESCN(C)CCCOc1ccccc1C(=O)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C26H31F2N5O2/c1-32(2)11-7-13-35-24-10-4-3-9-19(24)26(34)33-12-6-5-8-18(33)16-30-25-17-29-22-14-20(27)21(28)15-23(22)31-25/h3-4,9-10,14-15,17-18H,5-8,11-13,16H2,1-2H3,(H,30,31)
InChIKeyDRJNEXLOEAVTJP-UHFFFAOYSA-N
XLogP4.35
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 10298609
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 67090343
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone
CID 10296530
[(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
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 67089912
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 67090606
3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 10295783
1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 138650688
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1-methyltriazol-4-yl]methanone
CID 67090365
[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

Frequently Asked Questions

What is the IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone?
The IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone (CID 10227845) is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone.
What is the SMILES notation for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone?
The canonical SMILES for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone is CN(C)CCCOc1ccccc1C(=O)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone?
The InChIKey is DRJNEXLOEAVTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N5O2/c1-32(2)11-7-13-35-24-10-4-3-9-19(24)26(34)33-12-6-5-8-18(33)16-30-25-17-29-22-14-20(27)21(28)15-23(22)31-25/h3-4,9-10,14-15,17-18H,5-8,11-13,16H2,1-2H3,(H,30,31).
What are the key properties of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone?
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone has a molecular weight of 483.56 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone is sourced from PubChem (CID 10227845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).