N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C22H27N3O3 — CID 113173166

IUPACN-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccccc1N(CC(=O)N1CCN(c2cccc(C)c2)CC1)C(C)=O
InChIInChI=1S/C22H27N3O3/c1-17-7-6-8-19(15-17)23-11-13-24(14-12-23)22(27)16-25(18(2)26)20-9-4-5-10-21(20)28-3/h4-10,15H,11-14,16H2,1-3H3
InChIKeyQDEITIRFIQEWFG-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.71
Rot. Bonds5

About N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 113173166) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID113173166
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccccc1N(CC(=O)N1CCN(c2cccc(C)c2)CC1)C(C)=O
InChIInChI=1S/C22H27N3O3/c1-17-7-6-8-19(15-17)23-11-13-24(14-12-23)22(27)16-25(18(2)26)20-9-4-5-10-21(20)28-3/h4-10,15H,11-14,16H2,1-3H3
InChIKeyQDEITIRFIQEWFG-UHFFFAOYSA-N
XLogP2.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113167320
N-(2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173112
N-[4-(dimethylamino)phenyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113176706
N-(4-ethoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113173909
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide
CID 113173155
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-propan-2-ylphenyl)acetamide
CID 113169807
N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113171712
ethyl 4-[2-(N-acetyl-2-methoxy-5-methylanilino)acetyl]piperazine-1-carboxylate
CID 113174079
N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113128930
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159467
N-(2,6-dimethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113168676

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 113173166) is N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is COc1ccccc1N(CC(=O)N1CCN(c2cccc(C)c2)CC1)C(C)=O.
What is the InChIKey of N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is QDEITIRFIQEWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-7-6-8-19(15-17)23-11-13-24(14-12-23)22(27)16-25(18(2)26)20-9-4-5-10-21(20)28-3/h4-10,15H,11-14,16H2,1-3H3.
What are the key properties of N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 113173166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).