(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one

C15H19F2N3O2 — CID 23646443

IUPAC(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one
SMILESC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)ccc1F
InChIInChI=1S/C15H19F2N3O2/c1-9-15(22)19-4-5-20(9)14(21)8-12(18)7-10-6-11(16)2-3-13(10)17/h2-3,6,9,12H,4-5,7-8,18H2,1H3,(H,19,22)/t9-,12-/m1/s1
InChIKeyHMPBOXLFPDXJJJ-BXKDBHETSA-N
MW311.33 g/mol
LogP0.57
Rot. Bonds4

About (3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one

(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one (PubChem CID 23646443) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is (3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one
PubChem CID23646443
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one
SMILESC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)ccc1F
InChIInChI=1S/C15H19F2N3O2/c1-9-15(22)19-4-5-20(9)14(21)8-12(18)7-10-6-11(16)2-3-13(10)17/h2-3,6,9,12H,4-5,7-8,18H2,1H3,(H,19,22)/t9-,12-/m1/s1
InChIKeyHMPBOXLFPDXJJJ-BXKDBHETSA-N
XLogP0.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one?
The IUPAC name of (3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one (CID 23646443) is (3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one is C[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)ccc1F.
What is the InChIKey of (3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one?
The InChIKey is HMPBOXLFPDXJJJ-BXKDBHETSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-9-15(22)19-4-5-20(9)14(21)8-12(18)7-10-6-11(16)2-3-13(10)17/h2-3,6,9,12H,4-5,7-8,18H2,1H3,(H,19,22)/t9-,12-/m1/s1.
What are the key properties of (3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one?
(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one has a molecular weight of 311.33 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 23646443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).