(5S,6R)-5,6-diphenylpiperazin-2-one

C16H16N2O — CID 53393309

IUPAC(5S,6R)-5,6-diphenylpiperazin-2-one
SMILESO=C1CN[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C16H16N2O/c19-14-11-17-15(12-7-3-1-4-8-12)16(18-14)13-9-5-2-6-10-13/h1-10,15-17H,11H2,(H,18,19)/t15-,16+/m0/s1
InChIKeyOXNZYVLTFNKTNK-JKSUJKDBSA-N
MW252.32 g/mol
LogP2.19
Rot. Bonds2

About (5S,6R)-5,6-diphenylpiperazin-2-one

(5S,6R)-5,6-diphenylpiperazin-2-one (PubChem CID 53393309) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (5S,6R)-5,6-diphenylpiperazin-2-one.

Molecular Properties

Compound Name(5S,6R)-5,6-diphenylpiperazin-2-one
PubChem CID53393309
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(5S,6R)-5,6-diphenylpiperazin-2-one
SMILESO=C1CN[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C16H16N2O/c19-14-11-17-15(12-7-3-1-4-8-12)16(18-14)13-9-5-2-6-10-13/h1-10,15-17H,11H2,(H,18,19)/t15-,16+/m0/s1
InChIKeyOXNZYVLTFNKTNK-JKSUJKDBSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5,6-diphenylpiperazin-2-one?
The IUPAC name of (5S,6R)-5,6-diphenylpiperazin-2-one (CID 53393309) is (5S,6R)-5,6-diphenylpiperazin-2-one.
What is the SMILES notation for (5S,6R)-5,6-diphenylpiperazin-2-one?
The canonical SMILES for (5S,6R)-5,6-diphenylpiperazin-2-one is O=C1CN[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1.
What is the InChIKey of (5S,6R)-5,6-diphenylpiperazin-2-one?
The InChIKey is OXNZYVLTFNKTNK-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H16N2O/c19-14-11-17-15(12-7-3-1-4-8-12)16(18-14)13-9-5-2-6-10-13/h1-10,15-17H,11H2,(H,18,19)/t15-,16+/m0/s1.
What are the key properties of (5S,6R)-5,6-diphenylpiperazin-2-one?
(5S,6R)-5,6-diphenylpiperazin-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5,6-diphenylpiperazin-2-one is sourced from PubChem (CID 53393309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).