1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one

C17H32N2O — CID 81043600

IUPAC1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
SMILESCCC1(C)CCN(C(=O)CC(C)C2CCCNC2)CC1
InChIInChI=1S/C17H32N2O/c1-4-17(3)7-10-19(11-8-17)16(20)12-14(2)15-6-5-9-18-13-15/h14-15,18H,4-13H2,1-3H3
InChIKeyUCOXTVFDVYBJSA-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one

1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one (PubChem CID 81043600) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
PubChem CID81043600
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
SMILESCCC1(C)CCN(C(=O)CC(C)C2CCCNC2)CC1
InChIInChI=1S/C17H32N2O/c1-4-17(3)7-10-19(11-8-17)16(20)12-14(2)15-6-5-9-18-13-15/h14-15,18H,4-13H2,1-3H3
InChIKeyUCOXTVFDVYBJSA-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119803712
3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 81043524
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
1-(4-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043935
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119765244
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044118

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one (CID 81043600) is 1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one is CCC1(C)CCN(C(=O)CC(C)C2CCCNC2)CC1.
What is the InChIKey of 1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
The InChIKey is UCOXTVFDVYBJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-17(3)7-10-19(11-8-17)16(20)12-14(2)15-6-5-9-18-13-15/h14-15,18H,4-13H2,1-3H3.
What are the key properties of 1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 81043600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).