tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate

C17H24N2O3 — CID 70242311

IUPACtert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate
SMILESC[C@H]1C(=O)N(Cc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H24N2O3/c1-13-15(20)18(12-14-8-6-5-7-9-14)10-11-19(13)16(21)22-17(2,3)4/h5-9,13H,10-12H2,1-4H3/t13-/m0/s1
InChIKeyZJXVRGHRYMTRRO-ZDUSSCGKSA-N
MW304.39 g/mol
LogP2.65
Rot. Bonds2

About tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate

tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate (PubChem CID 70242311) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate
PubChem CID70242311
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate
SMILESC[C@H]1C(=O)N(Cc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H24N2O3/c1-13-15(20)18(12-14-8-6-5-7-9-14)10-11-19(13)16(21)22-17(2,3)4/h5-9,13H,10-12H2,1-4H3/t13-/m0/s1
InChIKeyZJXVRGHRYMTRRO-ZDUSSCGKSA-N
XLogP2.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-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

benzyl 2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-3-oxopiperazine-1-carboxylate
CID 67074494
1-benzyl-3-methyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 131911909
tert-butyl 4-benzyl-3-oxomorpholine-2-carboxylate
CID 15649498
tert-butyl 4-benzyl-2-(chloromethyl)-5-oxopiperazine-1-carboxylate
CID 132575495
tert-butyl (2S)-2-[(1S,2S)-2-amino-3-(3-ethylphenyl)-1-hydroxypropyl]-4-benzyl-3-oxopiperazine-1-carboxylate
CID 58096284
tert-butyl 4-but-3-enyl-2-methyl-3-oxopiperazine-1-carboxylate
CID 66999044
tert-butyl (2S)-2-[(2S)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propyl]-4-benzyl-3-oxopiperazine-1-carboxylate
CID 70327646
tert-butyl (2S)-4-benzyl-2-[(2S)-3-(3-bromophenyl)-2-(dibenzylamino)propyl]-3-oxopiperazine-1-carboxylate
CID 70327903
trans-tert-butyl (1S,2S)-2-(1-benzyl-2-oxopyrrolidin-3-yl)cyclopropane-1-carboxylate
CID 54226907
1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one
CID 45168454
tert-butyl (2S)-4-benzyl-2-[2-(dibenzylamino)-3-(3-fluoro-5-methylphenyl)propyl]-3-oxopiperazine-1-carboxylate
CID 143002708
tert-butyl 4-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]piperazine-1-carboxylate;ethane
CID 142251604

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate (CID 70242311) is tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate is C[C@H]1C(=O)N(Cc2ccccc2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate?
The InChIKey is ZJXVRGHRYMTRRO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-15(20)18(12-14-8-6-5-7-9-14)10-11-19(13)16(21)22-17(2,3)4/h5-9,13H,10-12H2,1-4H3/t13-/m0/s1.
What are the key properties of tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate?
tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 70242311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).