N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide

C23H30N4O3 — CID 8997168

IUPACN-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1CN1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C23H30N4O3/c1-17-4-9-22(30-3)19(14-17)15-26-10-12-27(13-11-26)16-23(29)25-21-7-5-20(6-8-21)24-18(2)28/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyURQJNAMBQMCSOU-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.72
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide

N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 8997168) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID8997168
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1CN1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C23H30N4O3/c1-17-4-9-22(30-3)19(14-17)15-26-10-12-27(13-11-26)16-23(29)25-21-7-5-20(6-8-21)24-18(2)28/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyURQJNAMBQMCSOU-UHFFFAOYSA-N
XLogP2.72
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997152
N-(3,4-difluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997026
N-(4-fluorophenyl)-2-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 8997571
N-(4-ethylphenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436150
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 30735955
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 8997907
N-(3,5-dimethoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 31129802
N-[(1S)-1-cyclopropylethyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997868
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997277
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31129739
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 31129600
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 8719420

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 8997168) is N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(C)cc1CN1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is URQJNAMBQMCSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17-4-9-22(30-3)19(14-17)15-26-10-12-27(13-11-26)16-23(29)25-21-7-5-20(6-8-21)24-18(2)28/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8997168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).