(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one

C17H27N3O — CID 61430391

IUPAC(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCC(C)(C)N1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)20-11-9-19(10-12-20)16(21)15(18)13-14-7-5-4-6-8-14/h4-8,15H,9-13,18H2,1-3H3/t15-/m0/s1
InChIKeyQLLIHHSDOYHJPD-HNNXBMFYSA-N
MW289.42 g/mol
LogP1.50
Rot. Bonds3

About (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one

(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one (PubChem CID 61430391) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one
PubChem CID61430391
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCC(C)(C)N1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)20-11-9-19(10-12-20)16(21)15(18)13-14-7-5-4-6-8-14/h4-8,15H,9-13,18H2,1-3H3/t15-/m0/s1
InChIKeyQLLIHHSDOYHJPD-HNNXBMFYSA-N
XLogP1.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate
CID 22284452
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
CID 78984747
(2R)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 78984555
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
CID 104897697
2-amino-3-phenyl-1-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119899884
4-(2-amino-3-phenylpropanoyl)piperazine-1-sulfonamide;hydrochloride
CID 119277565
2-amino-1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 69184928
4-(2-amino-3-phenylpropanoyl)-N-benzylpiperazine-1-carboxamide
CID 4040755
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one (CID 61430391) is (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one is CC(C)(C)N1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one?
The InChIKey is QLLIHHSDOYHJPD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,3)20-11-9-19(10-12-20)16(21)15(18)13-14-7-5-4-6-8-14/h4-8,15H,9-13,18H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one?
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one has a molecular weight of 289.42 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 61430391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).