[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone

C17H20N2O — CID 40744893

IUPAC[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C17H20N2O/c1-12-9-13(2)11-19(10-12)17(20)16-8-7-14-5-3-4-6-15(14)18-16/h3-8,12-13H,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyXOPKODAFDYQOED-CHWSQXEVSA-N
MW268.36 g/mol
LogP3.35
Rot. Bonds1

About [(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 40744893) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
PubChem CID40744893
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C17H20N2O/c1-12-9-13(2)11-19(10-12)17(20)16-8-7-14-5-3-4-6-15(14)18-16/h3-8,12-13H,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyXOPKODAFDYQOED-CHWSQXEVSA-N
XLogP3.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 79868417
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 63376375
(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
[(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 171530362
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103874986
1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 16792484
[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone
CID 121187471
(3R)-1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 30121810
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-quinolin-2-ylmethanone
CID 119099914

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone (CID 40744893) is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone is C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3ccccc3n2)C1.
What is the InChIKey of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is XOPKODAFDYQOED-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-9-13(2)11-19(10-12)17(20)16-8-7-14-5-3-4-6-15(14)18-16/h3-8,12-13H,9-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone?
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 268.36 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 40744893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).