2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide

C21H26N4O3 — CID 126454443

IUPAC2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCCCn1ccccc1=O
InChIInChI=1S/C21H26N4O3/c26-19(22-10-6-13-24-12-5-4-9-20(24)27)15-18-21(28)23-11-14-25(18)16-17-7-2-1-3-8-17/h1-5,7-9,12,18H,6,10-11,13-16H2,(H,22,26)(H,23,28)/t18-/m1/s1
InChIKeyKHMXHGSYVVWHFC-GOSISDBHSA-N
MW382.46 g/mol
LogP0.75
Rot. Bonds8

About 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide

2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide (PubChem CID 126454443) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
PubChem CID126454443
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCCCn1ccccc1=O
InChIInChI=1S/C21H26N4O3/c26-19(22-10-6-13-24-12-5-4-9-20(24)27)15-18-21(28)23-11-14-25(18)16-17-7-2-1-3-8-17/h1-5,7-9,12,18H,6,10-11,13-16H2,(H,22,26)(H,23,28)/t18-/m1/s1
InChIKeyKHMXHGSYVVWHFC-GOSISDBHSA-N
XLogP0.75
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 95722495
N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95708193
N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 25288787
2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45224138
3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide
CID 56895540
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
N-butyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56886045
2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide
CID 26403258
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 26334660
N-(3-cyclopentylpropyl)-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42095215
N-(3-cyclopentylpropyl)-2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45168373

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide?
The IUPAC name of 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide (CID 126454443) is 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide?
The canonical SMILES for 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide is O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCCCn1ccccc1=O.
What is the InChIKey of 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide?
The InChIKey is KHMXHGSYVVWHFC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-19(22-10-6-13-24-12-5-4-9-20(24)27)15-18-21(28)23-11-14-25(18)16-17-7-2-1-3-8-17/h1-5,7-9,12,18H,6,10-11,13-16H2,(H,22,26)(H,23,28)/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide?
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide is sourced from PubChem (CID 126454443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).