N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide

C16H19FN4O — CID 165432997

IUPACN-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide
SMILESCC(=O)NCC1(F)CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H19FN4O/c1-12(22)19-11-16(17)6-8-21(9-7-16)15-10-18-13-4-2-3-5-14(13)20-15/h2-5,10H,6-9,11H2,1H3,(H,19,22)
InChIKeyOCYYFARMNRANGN-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.07
Rot. Bonds3

About N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide

N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 165432997) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide
PubChem CID165432997
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide
SMILESCC(=O)NCC1(F)CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H19FN4O/c1-12(22)19-11-16(17)6-8-21(9-7-16)15-10-18-13-4-2-3-5-14(13)20-15/h2-5,10H,6-9,11H2,1H3,(H,19,22)
InChIKeyOCYYFARMNRANGN-UHFFFAOYSA-N
XLogP2.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluoro-1-isoquinolin-1-ylpiperidin-4-yl)methyl]acetamide
CID 165433026
N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 165431973
N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 165431838
4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid
CID 56880059
4-piperidin-1-yl-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 146040392
4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol
CID 155263860
3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid
CID 106983124
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
N-[2-(1-quinoxalin-2-ylpiperidin-4-yl)pyrazol-3-yl]acetamide
CID 56746669
2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid
CID 106977590
4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 137343373

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide (CID 165432997) is N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide is CC(=O)NCC1(F)CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is OCYYFARMNRANGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-12(22)19-11-16(17)6-8-21(9-7-16)15-10-18-13-4-2-3-5-14(13)20-15/h2-5,10H,6-9,11H2,1H3,(H,19,22).
What are the key properties of N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide?
N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 302.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1-quinoxalin-2-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 165432997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).