(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone

C13H22N2O — CID 119335393

IUPAC(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone
SMILESCC1(C)C2CN(C(=O)C3CCCCN3)CC21
InChIInChI=1S/C13H22N2O/c1-13(2)9-7-15(8-10(9)13)12(16)11-5-3-4-6-14-11/h9-11,14H,3-8H2,1-2H3
InChIKeyYFXNTXKIEOUVHO-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.24
Rot. Bonds1

About (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone

(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone (PubChem CID 119335393) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone
PubChem CID119335393
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone
SMILESCC1(C)C2CN(C(=O)C3CCCCN3)CC21
InChIInChI=1S/C13H22N2O/c1-13(2)9-7-15(8-10(9)13)12(16)11-5-3-4-6-14-11/h9-11,14H,3-8H2,1-2H3
InChIKeyYFXNTXKIEOUVHO-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-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-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 107217621
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(piperidin-2-yl)methanone
CID 119326244
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129414458
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
1-(azocane-2-carbonyl)azetidine-3-carboxylic acid
CID 114240179
2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104914841
cyclopentyl-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 71999144
(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 103812421
[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129496447

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone?
The IUPAC name of (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone (CID 119335393) is (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone is CC1(C)C2CN(C(=O)C3CCCCN3)CC21.
What is the InChIKey of (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone?
The InChIKey is YFXNTXKIEOUVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2)9-7-15(8-10(9)13)12(16)11-5-3-4-6-14-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone?
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone has a molecular weight of 222.33 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 119335393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).