N-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide

C20H23N3O2 — CID 164641415

IUPACN-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CC(=O)NC[C@H]2c2ccccc2)c1C
InChIInChI=1S/C20H23N3O2/c1-14-7-6-10-17(15(14)2)22-20(25)13-23-12-19(24)21-11-18(23)16-8-4-3-5-9-16/h3-10,18H,11-13H2,1-2H3,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyHJAVCNJZHUTHOF-SFHVURJKSA-N
MW337.42 g/mol
LogP2.42
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide (PubChem CID 164641415) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide
PubChem CID164641415
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CC(=O)NC[C@H]2c2ccccc2)c1C
InChIInChI=1S/C20H23N3O2/c1-14-7-6-10-17(15(14)2)22-20(25)13-23-12-19(24)21-11-18(23)16-8-4-3-5-9-16/h3-10,18H,11-13H2,1-2H3,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyHJAVCNJZHUTHOF-SFHVURJKSA-N
XLogP2.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 120771204
1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439604
1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441823
N-(2,3-dimethylphenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17438209
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 11930966
N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959
2-[[(4S)-5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 7391974
2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide
CID 172904902
N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 134038789
N-[(2,3-dimethylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 46643091
N-(2,3-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869970

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide (CID 164641415) is N-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CC(=O)NC[C@H]2c2ccccc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide?
The InChIKey is HJAVCNJZHUTHOF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-7-6-10-17(15(14)2)22-20(25)13-23-12-19(24)21-11-18(23)16-8-4-3-5-9-16/h3-10,18H,11-13H2,1-2H3,(H,21,24)(H,22,25)/t18-/m0/s1.
What are the key properties of N-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[(2R)-5-oxo-2-phenylpiperazin-1-yl]acetamide is sourced from PubChem (CID 164641415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).