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

C22H27N3O3 — CID 112994410

IUPAC2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-4-3-5-19(14-17)24-10-12-25(13-11-24)22(27)16-23-21(26)15-18-6-8-20(28-2)9-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeySUCFLODNHNSFLN-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.01
Rot. Bonds6

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

2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 112994410) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID112994410
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-4-3-5-19(14-17)24-10-12-25(13-11-24)22(27)16-23-21(26)15-18-6-8-20(28-2)9-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeySUCFLODNHNSFLN-UHFFFAOYSA-N
XLogP2.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996020
2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994419
2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112996017
2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]naphthalene-2-carboxamide
CID 25398392
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(3-methylphenyl)-2-oxoacetamide
CID 113097939
2-(4-methoxyphenyl)sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 35875948
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone
CID 108996776
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 108990024
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51161506
1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-propan-2-ylurea
CID 112994427
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112994503

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 112994410) is 2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is COc1ccc(CC(=O)NCC(=O)N2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is SUCFLODNHNSFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-4-3-5-19(14-17)24-10-12-25(13-11-24)22(27)16-23-21(26)15-18-6-8-20(28-2)9-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 112994410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).