2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide

C20H23N3O3 — CID 108520976

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c1-21(16-8-4-3-5-9-16)19(24)20(25)23-14-12-22(13-15-23)17-10-6-7-11-18(17)26-2/h3-11H,12-15H2,1-2H3
InChIKeyMVDNXFXBEPUCPY-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.01
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide (PubChem CID 108520976) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
PubChem CID108520976
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c1-21(16-8-4-3-5-9-16)19(24)20(25)23-14-12-22(13-15-23)17-10-6-7-11-18(17)26-2/h3-11H,12-15H2,1-2H3
InChIKeyMVDNXFXBEPUCPY-UHFFFAOYSA-N
XLogP2.01
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108986682
N,N-bis(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108528608
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720
N-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-N-phenylacetamide
CID 47336148
N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide
CID 108990100
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889437
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide
CID 108528480
N-(3-aminopropyl)-N-formyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108528811
(Z)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 46784567
1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530711

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide (CID 108520976) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide is COc1ccccc1N1CCN(C(=O)C(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
The InChIKey is MVDNXFXBEPUCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-21(16-8-4-3-5-9-16)19(24)20(25)23-14-12-22(13-15-23)17-10-6-7-11-18(17)26-2/h3-11H,12-15H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide has a molecular weight of 353.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide is sourced from PubChem (CID 108520976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).