N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide

C13H17N3O2 — CID 41385144

IUPACN-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide
SMILESO=C(C[C@H]1NCCNC1=O)NCc1ccccc1
InChIInChI=1S/C13H17N3O2/c17-12(8-11-13(18)15-7-6-14-11)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyYWEXIYROFNXTFH-LLVKDONJSA-N
MW247.30 g/mol
LogP-0.22
Rot. Bonds4

About N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide

N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide (PubChem CID 41385144) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide
PubChem CID41385144
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide
SMILESO=C(C[C@H]1NCCNC1=O)NCc1ccccc1
InChIInChI=1S/C13H17N3O2/c17-12(8-11-13(18)15-7-6-14-11)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyYWEXIYROFNXTFH-LLVKDONJSA-N
XLogP-0.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 54794658
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
benzyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
CID 952327
2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide
CID 54794720
N-benzyl-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 795021
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-3-oxopiperazin-2-yl]acetamide
CID 6931256
2-(3-oxopiperazin-2-yl)-N-(1-phenylethyl)acetamide;hydrochloride
CID 110282432
2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 6462246
N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride
CID 110283271
[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
CID 174732822
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 1352347

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide (CID 41385144) is N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide is O=C(C[C@H]1NCCNC1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is YWEXIYROFNXTFH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-12(8-11-13(18)15-7-6-14-11)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,18)(H,16,17)/t11-/m1/s1.
What are the key properties of N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 247.30 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2R)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 41385144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).