4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one

C15H23N3O — CID 63595404

IUPAC4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one
SMILESCC(N)C(c1ccccc1)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H23N3O/c1-11(16)13(12-7-5-4-6-8-12)18-10-9-17-14(19)15(18,2)3/h4-8,11,13H,9-10,16H2,1-3H3,(H,17,19)
InChIKeyXWUBAVYNQSAPAY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.29
Rot. Bonds3

About 4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one

4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63595404) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one
PubChem CID63595404
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one
SMILESCC(N)C(c1ccccc1)N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H23N3O/c1-11(16)13(12-7-5-4-6-8-12)18-10-9-17-14(19)15(18,2)3/h4-8,11,13H,9-10,16H2,1-3H3,(H,17,19)
InChIKeyXWUBAVYNQSAPAY-UHFFFAOYSA-N
XLogP1.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one (CID 63595404) is 4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one is CC(N)C(c1ccccc1)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is XWUBAVYNQSAPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(16)13(12-7-5-4-6-8-12)18-10-9-17-14(19)15(18,2)3/h4-8,11,13H,9-10,16H2,1-3H3,(H,17,19).
What are the key properties of 4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one?
4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-phenylpropyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63595404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).