1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone

C20H37NO — CID 20794678

IUPAC1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone
SMILESCC(C)C1CCN(C(=O)CC2CCCCC2)C(C(C)(C)C)C1
InChIInChI=1S/C20H37NO/c1-15(2)17-11-12-21(18(14-17)20(3,4)5)19(22)13-16-9-7-6-8-10-16/h15-18H,6-14H2,1-5H3
InChIKeyVWCRTHRXJQSWEJ-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.27
Rot. Bonds3

About 1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone

1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone (PubChem CID 20794678) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone.

Molecular Properties

Compound Name1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone
PubChem CID20794678
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone
SMILESCC(C)C1CCN(C(=O)CC2CCCCC2)C(C(C)(C)C)C1
InChIInChI=1S/C20H37NO/c1-15(2)17-11-12-21(18(14-17)20(3,4)5)19(22)13-16-9-7-6-8-10-16/h15-18H,6-14H2,1-5H3
InChIKeyVWCRTHRXJQSWEJ-UHFFFAOYSA-N
XLogP5.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone 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

Piperidine, 1-(cyclohexylcarbonyl)-2,6-dimethyl-
CID 199799
Cyclohexyl(2-methylpiperidin-1-yl)methanone
CID 558510
1-(4-Tert-butylcyclohexanecarbonyl)-4-ethylpiperazine
CID 36054265
1-Cyclohexylcarbonyl-2-ethylpiperidine
CID 2915910
Piperidine, 3-methyl-1-((2-methylcyclohexyl)carbonyl)-
CID 3049059
Piperidine, 2-ethyl-1-((2-methylcyclohexyl)carbonyl)-
CID 3049452
Cyclohexyl(2-azaspiro[5.5]undecan-2-yl)methanone
CID 54583941
Cyclopentyl(2-azaspiro[5.5]undecan-2-yl)methanone
CID 54586815
9-Cyclohexyl-1-piperidin-1-ylnonan-1-one
CID 171354672
1-(1-Adamantylcarbonyl)-2-methylpiperidine
CID 2896597
1-(3-Cyclohexylpropanoyl)-2-ethylpiperidine
CID 2939379
7-Bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone
CID 86817042

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone?
The IUPAC name of 1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone (CID 20794678) is 1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone.
What is the SMILES notation for 1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone?
The canonical SMILES for 1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone is CC(C)C1CCN(C(=O)CC2CCCCC2)C(C(C)(C)C)C1.
What is the InChIKey of 1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone?
The InChIKey is VWCRTHRXJQSWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-15(2)17-11-12-21(18(14-17)20(3,4)5)19(22)13-16-9-7-6-8-10-16/h15-18H,6-14H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone?
1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone has a molecular weight of 307.52 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone is sourced from PubChem (CID 20794678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).