4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one

C15H19N3O3 — CID 95813093

IUPAC4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@@H]2CN(c3ccccc3)CCO2)CCN1
InChIInChI=1S/C15H19N3O3/c19-14-11-18(7-6-16-14)15(20)13-10-17(8-9-21-13)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,19)/t13-/m0/s1
InChIKeyHYBRFTMCKSDOHW-ZDUSSCGKSA-N
MW289.33 g/mol
LogP-0.15
Rot. Bonds2

About 4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one

4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one (PubChem CID 95813093) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one
PubChem CID95813093
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@@H]2CN(c3ccccc3)CCO2)CCN1
InChIInChI=1S/C15H19N3O3/c19-14-11-18(7-6-16-14)15(20)13-10-17(8-9-21-13)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,19)/t13-/m0/s1
InChIKeyHYBRFTMCKSDOHW-ZDUSSCGKSA-N
XLogP-0.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one (CID 95813093) is 4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one is O=C1CN(C(=O)[C@@H]2CN(c3ccccc3)CCO2)CCN1.
What is the InChIKey of 4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one?
The InChIKey is HYBRFTMCKSDOHW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14-11-18(7-6-16-14)15(20)13-10-17(8-9-21-13)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,16,19)/t13-/m0/s1.
What are the key properties of 4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one?
4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one has a molecular weight of 289.33 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4-phenylmorpholine-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 95813093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).