N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide

C25H31N3O4 — CID 46046882

IUPACN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide
SMILESCOCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C25H31N3O4/c1-19-5-4-6-22(15-19)17-28(25(31)18-32-3)23-9-7-21(8-10-23)16-24(30)27-13-11-26(12-14-27)20(2)29/h4-10,15H,11-14,16-18H2,1-3H3
InChIKeyFNNVCZLORWMUEO-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.41
Rot. Bonds7

About N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide

N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 46046882) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide
PubChem CID46046882
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide
SMILESCOCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C25H31N3O4/c1-19-5-4-6-22(15-19)17-28(25(31)18-32-3)23-9-7-21(8-10-23)16-24(30)27-13-11-26(12-14-27)20(2)29/h4-10,15H,11-14,16-18H2,1-3H3
InChIKeyFNNVCZLORWMUEO-UHFFFAOYSA-N
XLogP2.41
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46046855
ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
CID 46046884
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 46046632
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide
CID 42852958
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide
CID 46046700
ethyl 1-[2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 42852925
ethyl 1-[2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
CID 46057071
2-(4-aminophenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119832324
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide
CID 46046531
methyl 4-[4-[2-(3-methylphenyl)acetyl]-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797666
2-(4-methoxyphenyl)-1-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 48867699

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide (CID 46046882) is N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide is COCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is FNNVCZLORWMUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-19-5-4-6-22(15-19)17-28(25(31)18-32-3)23-9-7-21(8-10-23)16-24(30)27-13-11-26(12-14-27)20(2)29/h4-10,15H,11-14,16-18H2,1-3H3.
What are the key properties of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide?
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 437.54 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 46046882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).