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

C17H25N3O — CID 119887152

IUPAC(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C17H25N3O/c18-16(13-14-5-2-1-3-6-14)17(21)20-11-9-19(10-12-20)15-7-4-8-15/h1-3,5-6,15-16H,4,7-13,18H2/t16-/m0/s1
InChIKeyHYAHLGKBMORKDT-INIZCTEOSA-N
MW287.41 g/mol
LogP1.25
Rot. Bonds4

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

(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one (PubChem CID 119887152) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
PubChem CID119887152
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C17H25N3O/c18-16(13-14-5-2-1-3-6-14)17(21)20-11-9-19(10-12-20)15-7-4-8-15/h1-3,5-6,15-16H,4,7-13,18H2/t16-/m0/s1
InChIKeyHYAHLGKBMORKDT-INIZCTEOSA-N
XLogP1.25
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63166900
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119843113
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
(2R)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)-3-phenylpropan-1-one
CID 78984747
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile
CID 57253914
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one (CID 119887152) is (2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one is N[C@@H](Cc1ccccc1)C(=O)N1CCN(C2CCC2)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one?
The InChIKey is HYAHLGKBMORKDT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3O/c18-16(13-14-5-2-1-3-6-14)17(21)20-11-9-19(10-12-20)15-7-4-8-15/h1-3,5-6,15-16H,4,7-13,18H2/t16-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one?
(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one has a molecular weight of 287.41 g/mol, XLogP of 1.25, 4 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-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 119887152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).