1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone

C17H32N2O2 — CID 64724997

IUPAC1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CC(OCC(C)C)C2(C)C)CC1
InChIInChI=1S/C17H32N2O2/c1-12(2)11-21-16-10-15(17(16,4)5)18-14-6-8-19(9-7-14)13(3)20/h12,14-16,18H,6-11H2,1-5H3
InChIKeyOSZVZKPTSSGGLB-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.43
Rot. Bonds5

About 1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone

1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone (PubChem CID 64724997) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone
PubChem CID64724997
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CC(OCC(C)C)C2(C)C)CC1
InChIInChI=1S/C17H32N2O2/c1-12(2)11-21-16-10-15(17(16,4)5)18-14-6-8-19(9-7-14)13(3)20/h12,14-16,18H,6-11H2,1-5H3
InChIKeyOSZVZKPTSSGGLB-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone (CID 64724997) is 1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2CC(OCC(C)C)C2(C)C)CC1.
What is the InChIKey of 1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone?
The InChIKey is OSZVZKPTSSGGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12(2)11-21-16-10-15(17(16,4)5)18-14-6-8-19(9-7-14)13(3)20/h12,14-16,18H,6-11H2,1-5H3.
What are the key properties of 1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone?
1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone has a molecular weight of 296.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 64724997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).