N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide

C23H31N3O3 — CID 12806471

IUPACN-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide
SMILESCOc1cc(NC(C)=O)ccc1OCC(C)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H31N3O3/c1-18(16-25-11-13-26(14-12-25)21-7-5-4-6-8-21)17-29-22-10-9-20(24-19(2)27)15-23(22)28-3/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyOYJOVFXBBJVVOQ-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.49
Rot. Bonds8

About N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide

N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide (PubChem CID 12806471) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide
PubChem CID12806471
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide
SMILESCOc1cc(NC(C)=O)ccc1OCC(C)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H31N3O3/c1-18(16-25-11-13-26(14-12-25)21-7-5-4-6-8-21)17-29-22-10-9-20(24-19(2)27)15-23(22)28-3/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyOYJOVFXBBJVVOQ-UHFFFAOYSA-N
XLogP3.49
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 991632
N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide
CID 70540494
N-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1363715
1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 18925
N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide
CID 71044231
1-[4-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 6493504
1-[4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 7304754
1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 1259558
2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2653964
3-methoxy-4-[2-methyl-3-(4-methylpiperazin-1-yl)propoxy]benzaldehyde
CID 82037764
1-[4-[(2S)-3-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 2147508
1-[4-[(2S)-3-[4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 51623805

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide?
The IUPAC name of N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide (CID 12806471) is N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide?
The canonical SMILES for N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide is COc1cc(NC(C)=O)ccc1OCC(C)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide?
The InChIKey is OYJOVFXBBJVVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-18(16-25-11-13-26(14-12-25)21-7-5-4-6-8-21)17-29-22-10-9-20(24-19(2)27)15-23(22)28-3/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,24,27).
What are the key properties of N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide?
N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide is sourced from PubChem (CID 12806471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).