(5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one

C11H16N2O2 — CID 155714130

IUPAC(5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one
SMILESO=C1O/C=C\C=C/CN1C1CCNCC1
InChIInChI=1S/C11H16N2O2/c14-11-13(8-2-1-3-9-15-11)10-4-6-12-7-5-10/h1-3,9-10,12H,4-8H2/b2-1-,9-3-
InChIKeyVKFCQRCCOVQBFL-HBYUYULDSA-N
MW208.26 g/mol
LogP1.26
Rot. Bonds1

About (5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one

(5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one (PubChem CID 155714130) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one.

Molecular Properties

Compound Name(5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one
PubChem CID155714130
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one
SMILESO=C1O/C=C\C=C/CN1C1CCNCC1
InChIInChI=1S/C11H16N2O2/c14-11-13(8-2-1-3-9-15-11)10-4-6-12-7-5-10/h1-3,9-10,12H,4-8H2/b2-1-,9-3-
InChIKeyVKFCQRCCOVQBFL-HBYUYULDSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one?
The IUPAC name of (5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one (CID 155714130) is (5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one.
What is the SMILES notation for (5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one?
The canonical SMILES for (5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one is O=C1O/C=C\C=C/CN1C1CCNCC1.
What is the InChIKey of (5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one?
The InChIKey is VKFCQRCCOVQBFL-HBYUYULDSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11-13(8-2-1-3-9-15-11)10-4-6-12-7-5-10/h1-3,9-10,12H,4-8H2/b2-1-,9-3-.
What are the key properties of (5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one?
(5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-3-piperidin-4-yl-4H-1,3-oxazocin-2-one is sourced from PubChem (CID 155714130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).