1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone

C15H26N2O2 — CID 64862939

IUPAC1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2C3CCOC3C2(C)C)CC1
InChIInChI=1S/C15H26N2O2/c1-10(18)17-7-4-11(5-8-17)16-13-12-6-9-19-14(12)15(13,2)3/h11-14,16H,4-9H2,1-3H3
InChIKeyKEPNMLQXQUDYIE-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.40
Rot. Bonds2

About 1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone

1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone (PubChem CID 64862939) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone
PubChem CID64862939
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2C3CCOC3C2(C)C)CC1
InChIInChI=1S/C15H26N2O2/c1-10(18)17-7-4-11(5-8-17)16-13-12-6-9-19-14(12)15(13,2)3/h11-14,16H,4-9H2,1-3H3
InChIKeyKEPNMLQXQUDYIE-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone (CID 64862939) is 1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2C3CCOC3C2(C)C)CC1.
What is the InChIKey of 1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is KEPNMLQXQUDYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(18)17-7-4-11(5-8-17)16-13-12-6-9-19-14(12)15(13,2)3/h11-14,16H,4-9H2,1-3H3.
What are the key properties of 1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 266.38 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 64862939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).