5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one

C14H26N2O2 — CID 64852724

IUPAC5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one
SMILESCCOC1CC(NC2CCC(=O)N(C)C2)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-5-18-12-8-11(14(12,2)3)15-10-6-7-13(17)16(4)9-10/h10-12,15H,5-9H2,1-4H3
InChIKeyLFJQQFACACWWKM-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds4

About 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one

5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one (PubChem CID 64852724) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one
PubChem CID64852724
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one
SMILESCCOC1CC(NC2CCC(=O)N(C)C2)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-5-18-12-8-11(14(12,2)3)15-10-6-7-13(17)16(4)9-10/h10-12,15H,5-9H2,1-4H3
InChIKeyLFJQQFACACWWKM-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one (CID 64852724) is 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one is CCOC1CC(NC2CCC(=O)N(C)C2)C1(C)C.
What is the InChIKey of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one?
The InChIKey is LFJQQFACACWWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-18-12-8-11(14(12,2)3)15-10-6-7-13(17)16(4)9-10/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one?
5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64852724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).