tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate

C18H27N3O3 — CID 22284452

IUPACtert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)24-17(23)21-11-9-20(10-12-21)16(22)15(19)13-14-7-5-4-6-8-14/h4-8,15H,9-13,19H2,1-3H3
InChIKeyNMJIZHWMEGMWAD-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.64
Rot. Bonds3

About tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate

tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate (PubChem CID 22284452) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate
PubChem CID22284452
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nametert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)24-17(23)21-11-9-20(10-12-21)16(22)15(19)13-14-7-5-4-6-8-14/h4-8,15H,9-13,19H2,1-3H3
InChIKeyNMJIZHWMEGMWAD-UHFFFAOYSA-N
XLogP1.64
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate 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-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one
CID 61430391
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-3-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]phenyl]propanoic acid
CID 21345433
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
tert-butyl 4-(1-oxo-3-phenylpropan-2-yl)piperazine-1-carboxylate
CID 58786686
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
(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
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119826529
tert-butyl 4-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]carbamoyl]piperazine-1-carboxylate
CID 14723522
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate (CID 22284452) is tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)C(N)Cc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate?
The InChIKey is NMJIZHWMEGMWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)24-17(23)21-11-9-20(10-12-21)16(22)15(19)13-14-7-5-4-6-8-14/h4-8,15H,9-13,19H2,1-3H3.
What are the key properties of tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate?
tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-amino-3-phenylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 22284452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).