1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one

C16H30N2O2 — CID 81044118

IUPAC1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
SMILESCCOC1CCCN(C(=O)CC(C)C2CCCNC2)C1
InChIInChI=1S/C16H30N2O2/c1-3-20-15-7-5-9-18(12-15)16(19)10-13(2)14-6-4-8-17-11-14/h13-15,17H,3-12H2,1-2H3
InChIKeyJIIFPCQHMOACFB-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds5

About 1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one

1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one (PubChem CID 81044118) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
PubChem CID81044118
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
SMILESCCOC1CCCN(C(=O)CC(C)C2CCCNC2)C1
InChIInChI=1S/C16H30N2O2/c1-3-20-15-7-5-9-18(12-15)16(19)10-13(2)14-6-4-8-17-11-14/h13-15,17H,3-12H2,1-2H3
InChIKeyJIIFPCQHMOACFB-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043935
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119765244
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-(4,4-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119803712
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
1-(4-ethyl-4-methylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043600
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-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119796687
N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 119722485

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one (CID 81044118) is 1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one is CCOC1CCCN(C(=O)CC(C)C2CCCNC2)C1.
What is the InChIKey of 1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
The InChIKey is JIIFPCQHMOACFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-20-15-7-5-9-18(12-15)16(19)10-13(2)14-6-4-8-17-11-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one?
1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 81044118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).