2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

C18H23N5O2 — CID 124750646

IUPAC2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C(=O)NCCN1Cc1cncn1Cc1ccccc1
InChIInChI=1S/C18H23N5O2/c1-19-17(24)9-16-18(25)21-7-8-22(16)12-15-10-20-13-23(15)11-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,19,24)(H,21,25)/t16-/m0/s1
InChIKeyDOBFGHXAOQMFMK-INIZCTEOSA-N
MW341.42 g/mol
LogP0.37
Rot. Bonds6

About 2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide

2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (PubChem CID 124750646) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
PubChem CID124750646
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C(=O)NCCN1Cc1cncn1Cc1ccccc1
InChIInChI=1S/C18H23N5O2/c1-19-17(24)9-16-18(25)21-7-8-22(16)12-15-10-20-13-23(15)11-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,19,24)(H,21,25)/t16-/m0/s1
InChIKeyDOBFGHXAOQMFMK-INIZCTEOSA-N
XLogP0.37
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95719696
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887158
2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 50984132
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 95722495
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 26334660
N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide
CID 95120552
2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 119074318
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide
CID 137255613
2-[(2S)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 25275532
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 95149181
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 126454443

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide (CID 124750646) is 2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is CNC(=O)C[C@H]1C(=O)NCCN1Cc1cncn1Cc1ccccc1.
What is the InChIKey of 2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
The InChIKey is DOBFGHXAOQMFMK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-19-17(24)9-16-18(25)21-7-8-22(16)12-15-10-20-13-23(15)11-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,19,24)(H,21,25)/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide?
2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide has a molecular weight of 341.42 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(3-benzylimidazol-4-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 124750646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).