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

C16H22N2O — CID 63522655

IUPAC(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
SMILESCC1Cc2ccccc2N(C(=O)C2CCCCN2)C1
InChIInChI=1S/C16H22N2O/c1-12-10-13-6-2-3-8-15(13)18(11-12)16(19)14-7-4-5-9-17-14/h2-3,6,8,12,14,17H,4-5,7,9-11H2,1H3
InChIKeyMVKJLCCKVRMXOA-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.35
Rot. Bonds1

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

(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone (PubChem CID 63522655) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
PubChem CID63522655
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
SMILESCC1Cc2ccccc2N(C(=O)C2CCCCN2)C1
InChIInChI=1S/C16H22N2O/c1-12-10-13-6-2-3-8-15(13)18(11-12)16(19)14-7-4-5-9-17-14/h2-3,6,8,12,14,17H,4-5,7,9-11H2,1H3
InChIKeyMVKJLCCKVRMXOA-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone 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

(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(6-methylpiperidin-2-yl)methanone
CID 63526013
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methylpiperazin-2-yl)methanone
CID 63526190
(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63523014
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 42587064
4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 78942007
(2S)-1-(azepane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 64563855
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-morpholin-2-ylmethanone
CID 63522121
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
(1-aminocyclobutyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81169109
cyclopentyl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanimine
CID 55225246
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone?
The IUPAC name of (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone (CID 63522655) is (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone is CC1Cc2ccccc2N(C(=O)C2CCCCN2)C1.
What is the InChIKey of (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone?
The InChIKey is MVKJLCCKVRMXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-10-13-6-2-3-8-15(13)18(11-12)16(19)14-7-4-5-9-17-14/h2-3,6,8,12,14,17H,4-5,7,9-11H2,1H3.
What are the key properties of (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone?
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone has a molecular weight of 258.36 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 63522655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).