1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone

C23H45NO — CID 157158322

IUPAC1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CC(C)CC(C(C)(C)C)C1.CC1CCCC(C(C)(C)C)C1
InChIInChI=1S/C12H23NO.C11H22/c1-9-6-11(12(3,4)5)8-13(7-9)10(2)14;1-9-6-5-7-10(8-9)11(2,3)4/h9,11H,6-8H2,1-5H3;9-10H,5-8H2,1-4H3
InChIKeyAMBOSBURVRCARJ-UHFFFAOYSA-N
MW351.62 g/mol
LogP6.40
Rot. Bonds

About 1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone

1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone (PubChem CID 157158322) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is 1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone
PubChem CID157158322
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CC(C)CC(C(C)(C)C)C1.CC1CCCC(C(C)(C)C)C1
InChIInChI=1S/C12H23NO.C11H22/c1-9-6-11(12(3,4)5)8-13(7-9)10(2)14;1-9-6-5-7-10(8-9)11(2,3)4/h9,11H,6-8H2,1-5H3;9-10H,5-8H2,1-4H3
InChIKeyAMBOSBURVRCARJ-UHFFFAOYSA-N
XLogP6.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone 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-tert-butyl-3-methylcyclohexane;propane
CID 177337386
bis(tert-butylcyclohexane);1-(4-tert-butylpiperidin-1-yl)ethanone;methane
CID 159596797
1-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane
CID 20647647
1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone
CID 145287462
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583
1-(3-tert-butylpiperidin-1-yl)propan-1-one
CID 59751403
1,3-ditert-butylcyclohexane;sulfane
CID 159387743

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone (CID 157158322) is 1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone is CC(=O)N1CC(C)CC(C(C)(C)C)C1.CC1CCCC(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone?
The InChIKey is AMBOSBURVRCARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C11H22/c1-9-6-11(12(3,4)5)8-13(7-9)10(2)14;1-9-6-5-7-10(8-9)11(2,3)4/h9,11H,6-8H2,1-5H3;9-10H,5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone?
1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone has a molecular weight of 351.62 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylcyclohexane;1-(3-tert-butyl-5-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 157158322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).