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

C15H27N3O2 — CID 64863325

IUPAC2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]acetamide
SMILESCC1(C)C(NC2CCN(CC(N)=O)CC2)C2CCOC21
InChIInChI=1S/C15H27N3O2/c1-15(2)13(11-5-8-20-14(11)15)17-10-3-6-18(7-4-10)9-12(16)19/h10-11,13-14,17H,3-9H2,1-2H3,(H2,16,19)
InChIKeyNKAQAOHUXVSHQF-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.34
Rot. Bonds4

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

2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]acetamide (PubChem CID 64863325) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]acetamide
PubChem CID64863325
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]acetamide
SMILESCC1(C)C(NC2CCN(CC(N)=O)CC2)C2CCOC21
InChIInChI=1S/C15H27N3O2/c1-15(2)13(11-5-8-20-14(11)15)17-10-3-6-18(7-4-10)9-12(16)19/h10-11,13-14,17H,3-9H2,1-2H3,(H2,16,19)
InChIKeyNKAQAOHUXVSHQF-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.34
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]acetamide?
The IUPAC name of 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]acetamide (CID 64863325) is 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]acetamide is CC1(C)C(NC2CCN(CC(N)=O)CC2)C2CCOC21.
What is the InChIKey of 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is NKAQAOHUXVSHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2)13(11-5-8-20-14(11)15)17-10-3-6-18(7-4-10)9-12(16)19/h10-11,13-14,17H,3-9H2,1-2H3,(H2,16,19).
What are the key properties of 2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]acetamide?
2-[4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 281.40 g/mol, XLogP of 0.34, 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]acetamide is sourced from PubChem (CID 64863325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).