4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one

C17H25N3O2 — CID 124685403

IUPAC4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one
SMILESCN1CCN(C(=O)CC[C@@H](N)c2ccccc2)C(C)(C)C1=O
InChIInChI=1S/C17H25N3O2/c1-17(2)16(22)19(3)11-12-20(17)15(21)10-9-14(18)13-7-5-4-6-8-13/h4-8,14H,9-12,18H2,1-3H3/t14-/m1/s1
InChIKeyBOMAIIHYXXPUNH-CQSZACIVSA-N
MW303.41 g/mol
LogP1.55
Rot. Bonds4

About 4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one

4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one (PubChem CID 124685403) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one
PubChem CID124685403
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one
SMILESCN1CCN(C(=O)CC[C@@H](N)c2ccccc2)C(C)(C)C1=O
InChIInChI=1S/C17H25N3O2/c1-17(2)16(22)19(3)11-12-20(17)15(21)10-9-14(18)13-7-5-4-6-8-13/h4-8,14H,9-12,18H2,1-3H3/t14-/m1/s1
InChIKeyBOMAIIHYXXPUNH-CQSZACIVSA-N
XLogP1.55
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one?
The IUPAC name of 4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one (CID 124685403) is 4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one.
What is the SMILES notation for 4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one?
The canonical SMILES for 4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one is CN1CCN(C(=O)CC[C@@H](N)c2ccccc2)C(C)(C)C1=O.
What is the InChIKey of 4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one?
The InChIKey is BOMAIIHYXXPUNH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-17(2)16(22)19(3)11-12-20(17)15(21)10-9-14(18)13-7-5-4-6-8-13/h4-8,14H,9-12,18H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one?
4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-amino-4-phenylbutanoyl]-1,3,3-trimethylpiperazin-2-one is sourced from PubChem (CID 124685403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).