6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C16H29N3O2 — CID 114946442

IUPAC6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1CC(NC(=O)C2(N)C3CCOC3C2(C)C)CCN1C
InChIInChI=1S/C16H29N3O2/c1-10-9-11(5-7-19(10)4)18-14(20)16(17)12-6-8-21-13(12)15(16,2)3/h10-13H,5-9,17H2,1-4H3,(H,18,20)
InChIKeyINZXMWCYONAUAD-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.73
Rot. Bonds2

About 6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114946442) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114946442
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1CC(NC(=O)C2(N)C3CCOC3C2(C)C)CCN1C
InChIInChI=1S/C16H29N3O2/c1-10-9-11(5-7-19(10)4)18-14(20)16(17)12-6-8-21-13(12)15(16,2)3/h10-13H,5-9,17H2,1-4H3,(H,18,20)
InChIKeyINZXMWCYONAUAD-UHFFFAOYSA-N
XLogP0.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide with MolForge

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Related Compounds

7-amino-8,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945326
6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946373
6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945084
6-amino-7,7-dimethyl-N-(1-oxothian-4-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946664
6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945814
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
6-amino-7,7-dimethyl-N-(2-methylcyclopentyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946033
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2-methylpiperidin-1-yl)methanone
CID 114945016
6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945014
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774567
6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945178
6-amino-N-(cyanomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945766

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114946442) is 6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC1CC(NC(=O)C2(N)C3CCOC3C2(C)C)CCN1C.
What is the InChIKey of 6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is INZXMWCYONAUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-10-9-11(5-7-19(10)4)18-14(20)16(17)12-6-8-21-13(12)15(16,2)3/h10-13H,5-9,17H2,1-4H3,(H,18,20).
What are the key properties of 6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114946442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).