3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one

C17H24N2O4 — CID 108534028

IUPAC3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H24N2O4/c1-22-12-7-16(20)18-8-10-19(11-9-18)17(21)13-14-3-5-15(23-2)6-4-14/h3-6H,7-13H2,1-2H3
InChIKeyKQASQPZSYRKYCZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.94
Rot. Bonds6

About 3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one

3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 108534028) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID108534028
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H24N2O4/c1-22-12-7-16(20)18-8-10-19(11-9-18)17(21)13-14-3-5-15(23-2)6-4-14/h3-6H,7-13H2,1-2H3
InChIKeyKQASQPZSYRKYCZ-UHFFFAOYSA-N
XLogP0.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-3-methoxypropan-1-one
CID 108547165
2-(4-methoxyphenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 113073361
1-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110346697
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721524
3-(4-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110611368
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832
1-[4-[2-(4-aminophenyl)acetyl]-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119762590

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one (CID 108534028) is 3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one is COCCC(=O)N1CCN(C(=O)Cc2ccc(OC)cc2)CC1.
What is the InChIKey of 3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is KQASQPZSYRKYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-12-7-16(20)18-8-10-19(11-9-18)17(21)13-14-3-5-15(23-2)6-4-14/h3-6H,7-13H2,1-2H3.
What are the key properties of 3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one?
3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 320.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 108534028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).