6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one

C18H23N3O — CID 126805966

IUPAC6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one
SMILESCc1ccc2cc(CNC3CCC(=O)NC3(C)C)ccc2n1
InChIInChI=1S/C18H23N3O/c1-12-4-6-14-10-13(5-7-15(14)20-12)11-19-16-8-9-17(22)21-18(16,2)3/h4-7,10,16,19H,8-9,11H2,1-3H3,(H,21,22)
InChIKeyOQBIQXOCBKDFBW-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.69
Rot. Bonds3

About 6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one

6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one (PubChem CID 126805966) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one
PubChem CID126805966
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one
SMILESCc1ccc2cc(CNC3CCC(=O)NC3(C)C)ccc2n1
InChIInChI=1S/C18H23N3O/c1-12-4-6-14-10-13(5-7-15(14)20-12)11-19-16-8-9-17(22)21-18(16,2)3/h4-7,10,16,19H,8-9,11H2,1-3H3,(H,21,22)
InChIKeyOQBIQXOCBKDFBW-UHFFFAOYSA-N
XLogP2.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24769156
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CID 1504523
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CID 753478
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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one?
The IUPAC name of 6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one (CID 126805966) is 6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one?
The canonical SMILES for 6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one is Cc1ccc2cc(CNC3CCC(=O)NC3(C)C)ccc2n1.
What is the InChIKey of 6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one?
The InChIKey is OQBIQXOCBKDFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-4-6-14-10-13(5-7-15(14)20-12)11-19-16-8-9-17(22)21-18(16,2)3/h4-7,10,16,19H,8-9,11H2,1-3H3,(H,21,22).
What are the key properties of 6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one?
6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one has a molecular weight of 297.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5-[(2-methylquinolin-6-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 126805966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).