1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C20H28N2O2 — CID 47984287

IUPAC1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)N2CCCc3ccccc32)C1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)19(24)21-12-6-10-16(14-21)18(23)22-13-7-9-15-8-4-5-11-17(15)22/h4-5,8,11,16H,6-7,9-10,12-14H2,1-3H3
InChIKeyDHBVIHUFGXYQGJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.25
Rot. Bonds1

About 1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 47984287) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID47984287
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)N2CCCc3ccccc32)C1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)19(24)21-12-6-10-16(14-21)18(23)22-13-7-9-15-8-4-5-11-17(15)22/h4-5,8,11,16H,6-7,9-10,12-14H2,1-3H3
InChIKeyDHBVIHUFGXYQGJ-UHFFFAOYSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47988393
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 108505638
3,4-dihydro-2H-quinolin-1-yl(oxan-3-yl)methanone
CID 71879683
3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926265
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone
CID 110335894
3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone
CID 110857121
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 30329086
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 47984287) is 1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCC(C(=O)N2CCCc3ccccc32)C1.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is DHBVIHUFGXYQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-20(2,3)19(24)21-12-6-10-16(14-21)18(23)22-13-7-9-15-8-4-5-11-17(15)22/h4-5,8,11,16H,6-7,9-10,12-14H2,1-3H3.
What are the key properties of 1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 328.46 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 47984287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).