1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one

C15H18F2N4O — CID 66775179

IUPAC1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one
SMILESNC1CCN(CCn2c(=O)cnc3ccc(F)c(F)c32)CC1
InChIInChI=1S/C15H18F2N4O/c16-11-1-2-12-15(14(11)17)21(13(22)9-19-12)8-7-20-5-3-10(18)4-6-20/h1-2,9-10H,3-8,18H2
InChIKeyFUFFBVLKYSPQMD-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.10
Rot. Bonds3

About 1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one

1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one (PubChem CID 66775179) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one
PubChem CID66775179
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one
SMILESNC1CCN(CCn2c(=O)cnc3ccc(F)c(F)c32)CC1
InChIInChI=1S/C15H18F2N4O/c16-11-1-2-12-15(14(11)17)21(13(22)9-19-12)8-7-20-5-3-10(18)4-6-20/h1-2,9-10H,3-8,18H2
InChIKeyFUFFBVLKYSPQMD-UHFFFAOYSA-N
XLogP1.10
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;hydrochloride
CID 68927113
(2R)-2-[(4-aminopiperidin-1-yl)methyl]-6-fluoro-4-thia-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraen-12-one
CID 68713463
3-[(4-aminopiperidin-1-yl)methyl]-3,5-difluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 23634204
1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one
CID 174545471
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one;methane
CID 159261184
tert-butyl N-[1-[2-(8-ethyl-7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 86635315
2-(chloromethyl)-6,7-difluoro-1-(2-piperidin-1-ylethyl)benzimidazole
CID 62531896
8-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1-methylquinolin-2-one;hydrochloride
CID 68509637
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 159025223
2-[(4-aminopiperidin-1-yl)methyl]-5-methoxy-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 131739487
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one
CID 68820161
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
CID 67538741

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one (CID 66775179) is 1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one is NC1CCN(CCn2c(=O)cnc3ccc(F)c(F)c32)CC1.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one?
The InChIKey is FUFFBVLKYSPQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O/c16-11-1-2-12-15(14(11)17)21(13(22)9-19-12)8-7-20-5-3-10(18)4-6-20/h1-2,9-10H,3-8,18H2.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one?
1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one has a molecular weight of 308.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one is sourced from PubChem (CID 66775179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).