1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one

C17H32N2O — CID 83999265

IUPAC1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC1CC(NC2CCCCC2)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C17H32N2O/c1-13-10-15(18-14-8-6-5-7-9-14)12-19(11-13)16(20)17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyIEHWLEPWKAEHCL-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds2

About 1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 83999265) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID83999265
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC1CC(NC2CCCCC2)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C17H32N2O/c1-13-10-15(18-14-8-6-5-7-9-14)12-19(11-13)16(20)17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyIEHWLEPWKAEHCL-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
1-[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999976
N-[1-(2,2-dimethylpropanoyl)-5-methylpiperidin-3-yl]acetamide
CID 112541844
1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83991687
1-[3-(cyclopropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83991690
[3-(cyclopentylamino)-5-methylpiperidin-1-yl]-phenylmethanone
CID 83999951
2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one
CID 65070633
1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 79458862
tert-butyl 3-[(3-methylcyclobutyl)amino]azepane-1-carboxylate
CID 104859796
N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520617
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one (CID 83999265) is 1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one is CC1CC(NC2CCCCC2)CN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is IEHWLEPWKAEHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13-10-15(18-14-8-6-5-7-9-14)12-19(11-13)16(20)17(2,3)4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 83999265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).