(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone

C17H24N2O — CID 139362783

IUPAC(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CC3CC2CN(C)C3)cc1
InChIInChI=1S/C17H24N2O/c1-12(2)14-4-6-15(7-5-14)17(20)19-10-13-8-16(19)11-18(3)9-13/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyQYTHEQAETFPYER-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.59
Rot. Bonds2

About (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone

(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone (PubChem CID 139362783) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone
PubChem CID139362783
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CC3CC2CN(C)C3)cc1
InChIInChI=1S/C17H24N2O/c1-12(2)14-4-6-15(7-5-14)17(20)19-10-13-8-16(19)11-18(3)9-13/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyQYTHEQAETFPYER-UHFFFAOYSA-N
XLogP2.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)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

(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone
CID 121451720
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
4-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]benzenesulfonamide
CID 70722110
(4-chloro-3-methylphenyl)-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70786453
(3-fluoroazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864386
(3-chloro-4-methoxyphenyl)-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133120771
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
(3-hydroxyazetidin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 118770730
(2R)-11-(4-propan-2-ylbenzoyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804419
(3,4-diethoxyphenyl)-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70705542
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone (CID 139362783) is (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CC3CC2CN(C)C3)cc1.
What is the InChIKey of (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is QYTHEQAETFPYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)14-4-6-15(7-5-14)17(20)19-10-13-8-16(19)11-18(3)9-13/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone?
(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 272.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 139362783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).