4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one

C17H23N3O — CID 81244792

IUPAC4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one
SMILESCC(N)C1CCCCN1c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-12(18)14-8-5-6-10-20(14)16-11-17(21)19(2)15-9-4-3-7-13(15)16/h3-4,7,9,11-12,14H,5-6,8,10,18H2,1-2H3
InChIKeyXOZVVVIKIYBKHV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.24
Rot. Bonds2

About 4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one

4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one (PubChem CID 81244792) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one
PubChem CID81244792
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one
SMILESCC(N)C1CCCCN1c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-12(18)14-8-5-6-10-20(14)16-11-17(21)19(2)15-9-4-3-7-13(15)16/h3-4,7,9,11-12,14H,5-6,8,10,18H2,1-2H3
InChIKeyXOZVVVIKIYBKHV-UHFFFAOYSA-N
XLogP2.24
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-piperidin-1-ylquinolin-2-one
CID 154146370
2-[2-(1-aminoethyl)piperidin-1-yl]benzenesulfonamide
CID 55167629
1-[1-(4-methyl-2-nitrophenyl)piperidin-2-yl]ethanamine
CID 63255659
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
3-[2-(1-aminoethyl)piperidin-1-yl]-4-nitrobenzamide
CID 82992157
1-[1-(5-fluoro-2-nitrophenyl)piperidin-2-yl]ethanamine
CID 63256055
4-[(2-aminocyclohexyl)amino]-1-methylquinolin-2-one
CID 81237084
6-[2-(1-aminoethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63256099
4-(cyclobutylamino)-1-methylquinolin-2-one
CID 81244035
3-[2-(1-aminoethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 104719974
4-[2-(1-aminoethyl)piperidin-1-yl]-2-bromo-3-fluorobenzonitrile
CID 107537662
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-2-yl]ethanamine
CID 55168390

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one?
The IUPAC name of 4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one (CID 81244792) is 4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one?
The canonical SMILES for 4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one is CC(N)C1CCCCN1c1cc(=O)n(C)c2ccccc12.
What is the InChIKey of 4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one?
The InChIKey is XOZVVVIKIYBKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(18)14-8-5-6-10-20(14)16-11-17(21)19(2)15-9-4-3-7-13(15)16/h3-4,7,9,11-12,14H,5-6,8,10,18H2,1-2H3.
What are the key properties of 4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one?
4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one is sourced from PubChem (CID 81244792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).