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

C16H29N3O2 — CID 64863119

IUPAC2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC2C3CCOC3C2(C)C)CC1
InChIInChI=1S/C16H29N3O2/c1-16(2)14(12-6-9-21-15(12)16)18-11-4-7-19(8-5-11)10-13(20)17-3/h11-12,14-15,18H,4-10H2,1-3H3,(H,17,20)
InChIKeyNSXLUVIXLOVMFG-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.60
Rot. Bonds4

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

2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide (PubChem CID 64863119) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide
PubChem CID64863119
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC2C3CCOC3C2(C)C)CC1
InChIInChI=1S/C16H29N3O2/c1-16(2)14(12-6-9-21-15(12)16)18-11-4-7-19(8-5-11)10-13(20)17-3/h11-12,14-15,18H,4-10H2,1-3H3,(H,17,20)
InChIKeyNSXLUVIXLOVMFG-UHFFFAOYSA-N
XLogP0.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide (CID 64863119) is 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NC2C3CCOC3C2(C)C)CC1.
What is the InChIKey of 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is NSXLUVIXLOVMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-16(2)14(12-6-9-21-15(12)16)18-11-4-7-19(8-5-11)10-13(20)17-3/h11-12,14-15,18H,4-10H2,1-3H3,(H,17,20).
What are the key properties of 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 295.43 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 64863119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).