1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

C23H28N2O3 — CID 55564611

IUPAC1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCOc1ccccc1CC(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-23(2,19-10-5-4-6-11-19)22(27)25-15-13-24(14-16-25)21(26)17-18-9-7-8-12-20(18)28-3/h4-12H,13-17H2,1-3H3
InChIKeyLQGTUBKUQQNXHF-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.89
Rot. Bonds5

About 1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 55564611) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID55564611
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCOc1ccccc1CC(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c1-23(2,19-10-5-4-6-11-19)22(27)25-15-13-24(14-16-25)21(26)17-18-9-7-8-12-20(18)28-3/h4-12H,13-17H2,1-3H3
InChIKeyLQGTUBKUQQNXHF-UHFFFAOYSA-N
XLogP2.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 56805511
N-tert-butyl-4-[2-(2-methoxyphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811866
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110818906
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078
2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 110818064
1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564526
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591375
4-[2-(2-methoxyphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501062
2-(2-methoxyphenyl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 2664294

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (CID 55564611) is 1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is COc1ccccc1CC(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is LQGTUBKUQQNXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,19-10-5-4-6-11-19)22(27)25-15-13-24(14-16-25)21(26)17-18-9-7-8-12-20(18)28-3/h4-12H,13-17H2,1-3H3.
What are the key properties of 1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 380.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 55564611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).