1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one

C16H20FN3O — CID 174545471

IUPAC1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one
SMILESNC1CCN(CCn2c(=O)ccc3c(F)cccc32)CC1
InChIInChI=1S/C16H20FN3O/c17-14-2-1-3-15-13(14)4-5-16(21)20(15)11-10-19-8-6-12(18)7-9-19/h1-5,12H,6-11,18H2
InChIKeyVJECYKHFZYTJTH-UHFFFAOYSA-N
MW289.35 g/mol
LogP1.56
Rot. Bonds3

About 1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one

1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one (PubChem CID 174545471) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one
PubChem CID174545471
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one
SMILESNC1CCN(CCn2c(=O)ccc3c(F)cccc32)CC1
InChIInChI=1S/C16H20FN3O/c17-14-2-1-3-15-13(14)4-5-16(21)20(15)11-10-19-8-6-12(18)7-9-19/h1-5,12H,6-11,18H2
InChIKeyVJECYKHFZYTJTH-UHFFFAOYSA-N
XLogP1.56
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;hydrochloride
CID 68927113
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one
CID 68820161
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxyquinolin-2-one
CID 59398289
2-(5-fluoro-2-oxoquinolin-1-yl)acetamide
CID 91216438
1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one
CID 141211537
2-(5-fluoro-2-oxoquinolin-1-yl)acetaldehyde
CID 87648765
1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one
CID 77232675
1-[(3-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 167713391
1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one
CID 67588198
1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one
CID 66775179
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
1-(2,6-difluorophenyl)piperidin-4-amine
CID 28974632

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one (CID 174545471) is 1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one is NC1CCN(CCn2c(=O)ccc3c(F)cccc32)CC1.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one?
The InChIKey is VJECYKHFZYTJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-14-2-1-3-15-13(14)4-5-16(21)20(15)11-10-19-8-6-12(18)7-9-19/h1-5,12H,6-11,18H2.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one?
1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one has a molecular weight of 289.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one is sourced from PubChem (CID 174545471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).