2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide

C18H21N5O2 — CID 26334660

IUPAC2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1ccncn1
InChIInChI=1S/C18H21N5O2/c24-17(21-11-15-6-7-19-13-22-15)10-16-18(25)20-8-9-23(16)12-14-4-2-1-3-5-14/h1-7,13,16H,8-12H2,(H,20,25)(H,21,24)/t16-/m0/s1
InChIKeyMWUXMXXHWFAIQK-INIZCTEOSA-N
MW339.40 g/mol
LogP0.48
Rot. Bonds6

About 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide

2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide (PubChem CID 26334660) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
PubChem CID26334660
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1ccncn1
InChIInChI=1S/C18H21N5O2/c24-17(21-11-15-6-7-19-13-22-15)10-16-18(25)20-8-9-23(16)12-14-4-2-1-3-5-14/h1-7,13,16H,8-12H2,(H,20,25)(H,21,24)/t16-/m0/s1
InChIKeyMWUXMXXHWFAIQK-INIZCTEOSA-N
XLogP0.48
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45228056
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45222650
2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide
CID 56851921
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 45233956
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 95722495
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95719193
N-[(5-methylpyrazin-2-yl)methyl]-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 42245676
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 126454443
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
CID 26328913
2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
CID 29026246

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide (CID 26334660) is 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide is O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCc1ccncn1.
What is the InChIKey of 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide?
The InChIKey is MWUXMXXHWFAIQK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17(21-11-15-6-7-19-13-22-15)10-16-18(25)20-8-9-23(16)12-14-4-2-1-3-5-14/h1-7,13,16H,8-12H2,(H,20,25)(H,21,24)/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide?
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide is sourced from PubChem (CID 26334660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).