(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone

C16H28N2O — CID 104913359

IUPAC(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCCN2)C2CCCCC12
InChIInChI=1S/C16H28N2O/c1-12-9-11-18(15-8-3-2-6-13(12)15)16(19)14-7-4-5-10-17-14/h12-15,17H,2-11H2,1H3/t12?,13?,14-,15?/m0/s1
InChIKeyXLKOVGULLUYHQH-YFXXHVASSA-N
MW264.41 g/mol
LogP2.56
Rot. Bonds1

About (4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone

(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone (PubChem CID 104913359) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone
PubChem CID104913359
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCCN2)C2CCCCC12
InChIInChI=1S/C16H28N2O/c1-12-9-11-18(15-8-3-2-6-13(12)15)16(19)14-7-4-5-10-17-14/h12-15,17H,2-11H2,1H3/t12?,13?,14-,15?/m0/s1
InChIKeyXLKOVGULLUYHQH-YFXXHVASSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone with MolForge

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Related Compounds

5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one
CID 107435155
1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62210734
azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 64569542
(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 90464822
4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one
CID 84588479
3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780280
[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 124507947
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 102780530
2-amino-2-methyl-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
CID 61266812
3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
CID 104913941
[(2R)-piperidin-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 104914149
4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104921848

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of (4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone (CID 104913359) is (4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for (4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for (4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone is CC1CCN(C(=O)[C@@H]2CCCCN2)C2CCCCC12.
What is the InChIKey of (4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The InChIKey is XLKOVGULLUYHQH-YFXXHVASSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-9-11-18(15-8-3-2-6-13(12)15)16(19)14-7-4-5-10-17-14/h12-15,17H,2-11H2,1H3/t12?,13?,14-,15?/m0/s1.
What are the key properties of (4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone?
(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone has a molecular weight of 264.41 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 104913359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).