4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one

C15H23N3O — CID 55215724

IUPAC4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CC(CN)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-15(2)14(19)17-8-9-18(15)11-13(10-16)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3,(H,17,19)
InChIKeyBFGCLUHPGRGBNB-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.94
Rot. Bonds4

About 4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one

4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one (PubChem CID 55215724) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one
PubChem CID55215724
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CC(CN)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-15(2)14(19)17-8-9-18(15)11-13(10-16)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3,(H,17,19)
InChIKeyBFGCLUHPGRGBNB-UHFFFAOYSA-N
XLogP0.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one (CID 55215724) is 4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1CC(CN)c1ccccc1.
What is the InChIKey of 4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is BFGCLUHPGRGBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)14(19)17-8-9-18(15)11-13(10-16)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3,(H,17,19).
What are the key properties of 4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one?
4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 261.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 55215724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).