2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide

C19H20ClN3O2 — CID 7188924

IUPAC2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(C[C@@H]1NCCN(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c20-15-6-8-16(9-7-15)22-18(24)12-17-19(25)23(11-10-21-17)13-14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,24)/t17-/m0/s1
InChIKeyHQDFIGREQWXMGT-KRWDZBQOSA-N
MW357.84 g/mol
LogP2.67
Rot. Bonds5

About 2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide

2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 7188924) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide
PubChem CID7188924
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(C[C@@H]1NCCN(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c20-15-6-8-16(9-7-15)22-18(24)12-17-19(25)23(11-10-21-17)13-14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,24)/t17-/m0/s1
InChIKeyHQDFIGREQWXMGT-KRWDZBQOSA-N
XLogP2.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 110283203
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 110283482
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193
2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110283183
1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 102002003
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide
CID 110282899
3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide;hydrochloride
CID 110282898
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
CID 110283124
(3S)-1-benzyl-3-ethylpiperazin-2-one
CID 45095306

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide (CID 7188924) is 2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide is O=C(C[C@@H]1NCCN(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is HQDFIGREQWXMGT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-15-6-8-16(9-7-15)22-18(24)12-17-19(25)23(11-10-21-17)13-14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,24)/t17-/m0/s1.
What are the key properties of 2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide?
2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 357.84 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 7188924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).