N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide

C22H23N3O4 — CID 72715202

IUPACN-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(c2cc(=O)oc3ccccc23)CC1
InChIInChI=1S/C22H23N3O4/c1-28-20-9-5-3-7-17(20)23-21(26)15-24-10-12-25(13-11-24)18-14-22(27)29-19-8-4-2-6-16(18)19/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyKAGMUTUAQRJSJI-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.56
Rot. Bonds5

About N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide

N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide (PubChem CID 72715202) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide
PubChem CID72715202
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(c2cc(=O)oc3ccccc23)CC1
InChIInChI=1S/C22H23N3O4/c1-28-20-9-5-3-7-17(20)23-21(26)15-24-10-12-25(13-11-24)18-14-22(27)29-19-8-4-2-6-16(18)19/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyKAGMUTUAQRJSJI-UHFFFAOYSA-N
XLogP2.56
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 27207510
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 33070046
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653668
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20970601
N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922615
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 22194502
N-(3,5-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 6457503
tert-butyl 4-[2-(2-methoxyanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 166605682

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide (CID 72715202) is N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide is COc1ccccc1NC(=O)CN1CCN(c2cc(=O)oc3ccccc23)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide?
The InChIKey is KAGMUTUAQRJSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-20-9-5-3-7-17(20)23-21(26)15-24-10-12-25(13-11-24)18-14-22(27)29-19-8-4-2-6-16(18)19/h2-9,14H,10-13,15H2,1H3,(H,23,26).
What are the key properties of N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide?
N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 72715202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).