1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one

C14H24N2O2 — CID 80733102

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
SMILESCC(C)NC1CCCN(C2CC3CCC2O3)C1=O
InChIInChI=1S/C14H24N2O2/c1-9(2)15-11-4-3-7-16(14(11)17)12-8-10-5-6-13(12)18-10/h9-13,15H,3-8H2,1-2H3
InChIKeyQPESQMBMKUNQKZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.30
Rot. Bonds3

About 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one

1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one (PubChem CID 80733102) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
PubChem CID80733102
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
SMILESCC(C)NC1CCCN(C2CC3CCC2O3)C1=O
InChIInChI=1S/C14H24N2O2/c1-9(2)15-11-4-3-7-16(14(11)17)12-8-10-5-6-13(12)18-10/h9-13,15H,3-8H2,1-2H3
InChIKeyQPESQMBMKUNQKZ-UHFFFAOYSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one (CID 80733102) is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one is CC(C)NC1CCCN(C2CC3CCC2O3)C1=O.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one?
The InChIKey is QPESQMBMKUNQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9(2)15-11-4-3-7-16(14(11)17)12-8-10-5-6-13(12)18-10/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one?
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(propan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 80733102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).