1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one

C16H19N3O2 — CID 124622920

IUPAC1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESN[C@@H]1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)C1
InChIInChI=1S/C16H19N3O2/c17-12-4-3-8-19(10-12)16(21)11-18-9-7-15(20)13-5-1-2-6-14(13)18/h1-2,5-7,9,12H,3-4,8,10-11,17H2/t12-/m1/s1
InChIKeyKIQVSTPOPCKQRX-GFCCVEGCSA-N
MW285.35 g/mol
LogP0.95
Rot. Bonds2

About 1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one

1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one (PubChem CID 124622920) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one
PubChem CID124622920
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESN[C@@H]1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)C1
InChIInChI=1S/C16H19N3O2/c17-12-4-3-8-19(10-12)16(21)11-18-9-7-15(20)13-5-1-2-6-14(13)18/h1-2,5-7,9,12H,3-4,8,10-11,17H2/t12-/m1/s1
InChIKeyKIQVSTPOPCKQRX-GFCCVEGCSA-N
XLogP0.95
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid
CID 97194322
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]quinolin-4-one
CID 95588154
1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91767931
3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide
CID 138002600
1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 97093863
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
CID 119650725
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one
CID 97330448
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119380116
1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 90651811
1-[2-[(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-2-oxoethyl]quinolin-4-one
CID 166314889
2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971243

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one?
The IUPAC name of 1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one (CID 124622920) is 1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one?
The canonical SMILES for 1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one is N[C@@H]1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)C1.
What is the InChIKey of 1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one?
The InChIKey is KIQVSTPOPCKQRX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-12-4-3-8-19(10-12)16(21)11-18-9-7-15(20)13-5-1-2-6-14(13)18/h1-2,5-7,9,12H,3-4,8,10-11,17H2/t12-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one?
1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one has a molecular weight of 285.35 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one is sourced from PubChem (CID 124622920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).