(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one

C15H19N3O3 — CID 135096348

IUPAC(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2CCNCC2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C15H19N3O3/c19-12-10-21-14(15(20)18-8-6-16-7-9-18)13(17-12)11-4-2-1-3-5-11/h1-5,13-14,16H,6-10H2,(H,17,19)/t13-,14+/m1/s1
InChIKeyJTVOAUWFYNXJFD-KGLIPLIRSA-N
MW289.33 g/mol
LogP-0.33
Rot. Bonds2

About (5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one

(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one (PubChem CID 135096348) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one
PubChem CID135096348
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2CCNCC2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C15H19N3O3/c19-12-10-21-14(15(20)18-8-6-16-7-9-18)13(17-12)11-4-2-1-3-5-11/h1-5,13-14,16H,6-10H2,(H,17,19)/t13-,14+/m1/s1
InChIKeyJTVOAUWFYNXJFD-KGLIPLIRSA-N
XLogP-0.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one?
The IUPAC name of (5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one (CID 135096348) is (5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one.
What is the SMILES notation for (5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one?
The canonical SMILES for (5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one is O=C1CO[C@H](C(=O)N2CCNCC2)[C@@H](c2ccccc2)N1.
What is the InChIKey of (5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one?
The InChIKey is JTVOAUWFYNXJFD-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-12-10-21-14(15(20)18-8-6-16-7-9-18)13(17-12)11-4-2-1-3-5-11/h1-5,13-14,16H,6-10H2,(H,17,19)/t13-,14+/m1/s1.
What are the key properties of (5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one?
(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one has a molecular weight of 289.33 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one is sourced from PubChem (CID 135096348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).