1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one

C18H23N3O — CID 92552858

IUPAC1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2nc3ccccc3cc2N)CC1
InChIInChI=1S/C18H23N3O/c1-12(2)18(22)21-9-7-13(8-10-21)17-15(19)11-14-5-3-4-6-16(14)20-17/h3-6,11-13H,7-10,19H2,1-2H3
InChIKeyXXZBONFOJOQJKL-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.18
Rot. Bonds2

About 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one

1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 92552858) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID92552858
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2nc3ccccc3cc2N)CC1
InChIInChI=1S/C18H23N3O/c1-12(2)18(22)21-9-7-13(8-10-21)17-15(19)11-14-5-3-4-6-16(14)20-17/h3-6,11-13H,7-10,19H2,1-2H3
InChIKeyXXZBONFOJOQJKL-UHFFFAOYSA-N
XLogP3.18
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92576605
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 92583939
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670553
[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 92552418
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one
CID 110221652
(2S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one
CID 92603216
2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 110237795
1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 46955386
(3S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92602854
2-[1-[2-(4-ethoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 110237800
1-[3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one
CID 110222607
2-[1-[2-(2,4-difluorophenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 110237812

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one (CID 92552858) is 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(c2nc3ccccc3cc2N)CC1.
What is the InChIKey of 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is XXZBONFOJOQJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12(2)18(22)21-9-7-13(8-10-21)17-15(19)11-14-5-3-4-6-16(14)20-17/h3-6,11-13H,7-10,19H2,1-2H3.
What are the key properties of 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 297.40 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 92552858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).