(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone

C18H22N2O — CID 51161951

IUPAC(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)c2ccccc2n1
InChIInChI=1S/C18H22N2O/c1-12-8-13(2)11-20(10-12)18(21)16-9-14(3)19-17-7-5-4-6-15(16)17/h4-7,9,12-13H,8,10-11H2,1-3H3
InChIKeyMRCQVBHXTJCVTC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.66
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone (PubChem CID 51161951) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
PubChem CID51161951
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)c2ccccc2n1
InChIInChI=1S/C18H22N2O/c1-12-8-13(2)11-20(10-12)18(21)16-9-14(3)19-17-7-5-4-6-15(16)17/h4-7,9,12-13H,8,10-11H2,1-3H3
InChIKeyMRCQVBHXTJCVTC-UHFFFAOYSA-N
XLogP3.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
(3S,4S)-4-methyl-1-(2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952992
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 1220276
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3338926
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 70712754
[2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 5074067
[2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 92760503

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone (CID 51161951) is (3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CC(C)CC(C)C2)c2ccccc2n1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone?
The InChIKey is MRCQVBHXTJCVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-8-13(2)11-20(10-12)18(21)16-9-14(3)19-17-7-5-4-6-15(16)17/h4-7,9,12-13H,8,10-11H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone has a molecular weight of 282.39 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 51161951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).