1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C17H24N2O — CID 139326481

IUPAC1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)N1CC(C)Cc2cc(N3CCCCC3)ccc21
InChIInChI=1S/C17H24N2O/c1-13-10-15-11-16(18-8-4-3-5-9-18)6-7-17(15)19(12-13)14(2)20/h6-7,11,13H,3-5,8-10,12H2,1-2H3
InChIKeyHWFZPHRBBYRNJX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.22
Rot. Bonds1

About 1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone

1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 139326481) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID139326481
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC(=O)N1CC(C)Cc2cc(N3CCCCC3)ccc21
InChIInChI=1S/C17H24N2O/c1-13-10-15-11-16(18-8-4-3-5-9-18)6-7-17(15)19(12-13)14(2)20/h6-7,11,13H,3-5,8-10,12H2,1-2H3
InChIKeyHWFZPHRBBYRNJX-UHFFFAOYSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

1-acetyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 144701720
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
1-acetyl-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 100516505
1-acetyl-6-ethoxy-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 82624457
1-phenyl-4-(5-pyrrolidin-1-yl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110634451
(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315984
1-(1-acetyl-2,3-dihydroindol-5-yl)pyrrolidine-2-carboxylic acid
CID 82537981
1-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinoline
CID 82538182
6-piperidin-1-yl-1,2,3,4-tetrahydroquinolin-3-ol
CID 107447221
2,4-di(piperidin-1-yl)phenol
CID 130450866

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 139326481) is 1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CC(=O)N1CC(C)Cc2cc(N3CCCCC3)ccc21.
What is the InChIKey of 1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is HWFZPHRBBYRNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-10-15-11-16(18-8-4-3-5-9-18)6-7-17(15)19(12-13)14(2)20/h6-7,11,13H,3-5,8-10,12H2,1-2H3.
What are the key properties of 1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 139326481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).