(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C15H26N2O3 — CID 114947024

IUPAC(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)C2(N)C3CCOC3C2(C)C)CCC1O
InChIInChI=1S/C15H26N2O3/c1-9-8-17(6-4-11(9)18)13(19)15(16)10-5-7-20-12(10)14(15,2)3/h9-12,18H,4-8,16H2,1-3H3
InChIKeyAKSQQAHBNYWSBW-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.36
Rot. Bonds1

About (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114947024) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114947024
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)C2(N)C3CCOC3C2(C)C)CCC1O
InChIInChI=1S/C15H26N2O3/c1-9-8-17(6-4-11(9)18)13(19)15(16)10-5-7-20-12(10)14(15,2)3/h9-12,18H,4-8,16H2,1-3H3
InChIKeyAKSQQAHBNYWSBW-UHFFFAOYSA-N
XLogP0.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114947024) is (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)C2(N)C3CCOC3C2(C)C)CCC1O.
What is the InChIKey of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is AKSQQAHBNYWSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-9-8-17(6-4-11(9)18)13(19)15(16)10-5-7-20-12(10)14(15,2)3/h9-12,18H,4-8,16H2,1-3H3.
What are the key properties of (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 282.38 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114947024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).