benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate

C26H26N2O3 — CID 101170964

IUPACbenzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate
SMILESO=C1[C@@H](Cc2ccccc2)N(C(=O)OCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C26H26N2O3/c29-25-24(18-21-10-4-1-5-11-21)28(26(30)31-20-23-14-8-3-9-15-23)17-16-27(25)19-22-12-6-2-7-13-22/h1-15,24H,16-20H2/t24-/m1/s1
InChIKeyVBROIRHBCGJLAS-XMMPIXPASA-N
MW414.51 g/mol
LogP4.28
Rot. Bonds6

About benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate

benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate (PubChem CID 101170964) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate
PubChem CID101170964
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Namebenzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate
SMILESO=C1[C@@H](Cc2ccccc2)N(C(=O)OCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C26H26N2O3/c29-25-24(18-21-10-4-1-5-11-21)28(26(30)31-20-23-14-8-3-9-15-23)17-16-27(25)19-22-12-6-2-7-13-22/h1-15,24H,16-20H2/t24-/m1/s1
InChIKeyVBROIRHBCGJLAS-XMMPIXPASA-N
XLogP4.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate
CID 101153820
benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-oxopiperazine-1-carboxylate
CID 10694128
benzyl (2S)-4-benzoyl-3-oxo-2-prop-2-enylpiperazine-1-carboxylate
CID 175730972
tert-butyl (2S)-2-[(2S)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propyl]-4-benzyl-3-oxopiperazine-1-carboxylate
CID 70327646
(3R)-3-hydroxy-4-[(3S)-3-methyl-2-oxo-4-phenylmethoxycarbonylpiperazin-1-yl]butanoic acid
CID 67074471
tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate
CID 70242311
benzyl (2S)-2-(chloromethyl)aziridine-1-carboxylate
CID 176637455
ethyl 2-[(3S)-4-[(2R)-2-aminopropanoyl]-3-benzyl-2-oxopiperazin-1-yl]acetate
CID 10760069
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
CID 142093012
benzyl 2,4-dimethylpiperazine-1-carboxylate
CID 110707785
1-benzyl-3-methyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 131911909

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate?
The IUPAC name of benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate (CID 101170964) is benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate is O=C1[C@@H](Cc2ccccc2)N(C(=O)OCc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate?
The InChIKey is VBROIRHBCGJLAS-XMMPIXPASA-N. The full InChI is InChI=1S/C26H26N2O3/c29-25-24(18-21-10-4-1-5-11-21)28(26(30)31-20-23-14-8-3-9-15-23)17-16-27(25)19-22-12-6-2-7-13-22/h1-15,24H,16-20H2/t24-/m1/s1.
What are the key properties of benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate?
benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate has a molecular weight of 414.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2,4-dibenzyl-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 101170964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).