3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone

C16H22N2O — CID 108987982

IUPAC3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C16H22N2O/c1-13-8-11-17(12-9-13)16(19)18-10-4-6-14-5-2-3-7-15(14)18/h2-3,5,7,13H,4,6,8-12H2,1H3
InChIKeyIRKDOQMADOCVIT-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.29
Rot. Bonds

About 3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone (PubChem CID 108987982) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
PubChem CID108987982
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C16H22N2O/c1-13-8-11-17(12-9-13)16(19)18-10-4-6-14-5-2-3-7-15(14)18/h2-3,5,7,13H,4,6,8-12H2,1H3
InChIKeyIRKDOQMADOCVIT-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 79159866
[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109095477
4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde
CID 108988608
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 54816851
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-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 24896014
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081719
3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 24896062
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 79159594
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]ethanone
CID 54843456
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115441389

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone (CID 108987982) is 3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone?
The InChIKey is IRKDOQMADOCVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-8-11-17(12-9-13)16(19)18-10-4-6-14-5-2-3-7-15(14)18/h2-3,5,7,13H,4,6,8-12H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 108987982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).