(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone

C15H28N2O2 — CID 114827769

IUPAC(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCCC(C)C2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-5-19-12-9-15(16,14(12,3)4)13(18)17-8-6-7-11(2)10-17/h11-12H,5-10,16H2,1-4H3
InChIKeyZZXYFYOFGMWFOC-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds3

About (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone

(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 114827769) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID114827769
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone
SMILESCCOC1CC(N)(C(=O)N2CCCC(C)C2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-5-19-12-9-15(16,14(12,3)4)13(18)17-8-6-7-11(2)10-17/h11-12H,5-10,16H2,1-4H3
InChIKeyZZXYFYOFGMWFOC-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone (CID 114827769) is (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone is CCOC1CC(N)(C(=O)N2CCCC(C)C2)C1(C)C.
What is the InChIKey of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is ZZXYFYOFGMWFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-19-12-9-15(16,14(12,3)4)13(18)17-8-6-7-11(2)10-17/h11-12H,5-10,16H2,1-4H3.
What are the key properties of (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone?
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114827769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).