1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone

C15H28N2O2 — CID 64689535

IUPAC1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone
SMILESCCOC1CC(NC2CCN(C(C)=O)CC2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-5-19-14-10-13(15(14,3)4)16-12-6-8-17(9-7-12)11(2)18/h12-14,16H,5-10H2,1-4H3
InChIKeyGJENOMMPJXEDOO-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds4

About 1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone

1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone (PubChem CID 64689535) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone
PubChem CID64689535
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone
SMILESCCOC1CC(NC2CCN(C(C)=O)CC2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-5-19-14-10-13(15(14,3)4)16-12-6-8-17(9-7-12)11(2)18/h12-14,16H,5-10H2,1-4H3
InChIKeyGJENOMMPJXEDOO-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone (CID 64689535) is 1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone is CCOC1CC(NC2CCN(C(C)=O)CC2)C1(C)C.
What is the InChIKey of 1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone?
The InChIKey is GJENOMMPJXEDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-19-14-10-13(15(14,3)4)16-12-6-8-17(9-7-12)11(2)18/h12-14,16H,5-10H2,1-4H3.
What are the key properties of 1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone?
1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 64689535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).