2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide

C21H27N3O2 — CID 167910052

IUPAC2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)CN3CC(C)NCC3C)cc2)c1
InChIInChI=1S/C21H27N3O2/c1-15-5-4-6-20(11-15)26-19-9-7-18(8-10-19)23-21(25)14-24-13-16(2)22-12-17(24)3/h4-11,16-17,22H,12-14H2,1-3H3,(H,23,25)
InChIKeyIGRZOUNOOSQMDL-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.41
Rot. Bonds5

About 2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide

2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide (PubChem CID 167910052) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide
PubChem CID167910052
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)CN3CC(C)NCC3C)cc2)c1
InChIInChI=1S/C21H27N3O2/c1-15-5-4-6-20(11-15)26-19-9-7-18(8-10-19)23-21(25)14-24-13-16(2)22-12-17(24)3/h4-11,16-17,22H,12-14H2,1-3H3,(H,23,25)
InChIKeyIGRZOUNOOSQMDL-UHFFFAOYSA-N
XLogP3.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 64980300
N-(4-bromophenyl)-2-(2,5-dimethylpiperazin-1-yl)acetamide
CID 64980676
N-[4-(3-methylphenoxy)phenyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide
CID 56539564
2-[1-[2-[4-(3-methylphenoxy)anilino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 166267199
3-cyclopentyl-N-[4-(3-methylphenoxy)phenyl]propanamide
CID 2446291
N-[4-(3-methylphenoxy)phenyl]-2-[(3S)-3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]acetamide
CID 100623739
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 5085866
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 4139874
3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 75502896
2-(2,5-dimethylpiperazin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 64980273
(2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide
CID 24901626

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide (CID 167910052) is 2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide is Cc1cccc(Oc2ccc(NC(=O)CN3CC(C)NCC3C)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide?
The InChIKey is IGRZOUNOOSQMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-5-4-6-20(11-15)26-19-9-7-18(8-10-19)23-21(25)14-24-13-16(2)22-12-17(24)3/h4-11,16-17,22H,12-14H2,1-3H3,(H,23,25).
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide?
2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-N-[4-(3-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 167910052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).