1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone

C19H25N3O — CID 124880429

IUPAC1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN(C)c1cccc2cccnc12
InChIInChI=1S/C19H25N3O/c1-14-7-4-8-15(2)22(14)18(23)13-21(3)17-11-5-9-16-10-6-12-20-19(16)17/h5-6,9-12,14-15H,4,7-8,13H2,1-3H3/t14-,15+
InChIKeyOVFBGMUXDPCFKZ-GASCZTMLSA-N
MW311.43 g/mol
LogP3.46
Rot. Bonds3

About 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone (PubChem CID 124880429) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone
PubChem CID124880429
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN(C)c1cccc2cccnc12
InChIInChI=1S/C19H25N3O/c1-14-7-4-8-15(2)22(14)18(23)13-21(3)17-11-5-9-16-10-6-12-20-19(16)17/h5-6,9-12,14-15H,4,7-8,13H2,1-3H3/t14-,15+
InChIKeyOVFBGMUXDPCFKZ-GASCZTMLSA-N
XLogP3.46
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone with MolForge

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Related Compounds

N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-quinolin-8-ylmethanesulfonamide
CID 113156666
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 2355238
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-quinolin-8-ylacetamide
CID 113178652
(3R)-N-methyl-N-quinolin-8-yloxane-3-carboxamide
CID 129433446
2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine
CID 83007197
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone
CID 95299053
1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
CID 60572838
2-[(2-methoxy-2-oxoethyl)-quinolin-8-ylamino]acetic acid
CID 59772112
[(2R)-2-methylpyrrolidin-1-yl]-(1,7-naphthyridin-8-yl)methanone
CID 123840614
1-(2,6-dimethylpiperidin-1-yl)-2-indol-1-ylethanone
CID 110702430
7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,7-naphthyridin-8-one
CID 126837339
(2-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103755683

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone (CID 124880429) is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone is C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)c1cccc2cccnc12.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone?
The InChIKey is OVFBGMUXDPCFKZ-GASCZTMLSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-7-4-8-15(2)22(14)18(23)13-21(3)17-11-5-9-16-10-6-12-20-19(16)17/h5-6,9-12,14-15H,4,7-8,13H2,1-3H3/t14-,15+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone?
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone has a molecular weight of 311.43 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[methyl(quinolin-8-yl)amino]ethanone is sourced from PubChem (CID 124880429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).