1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone

C21H24N2O3 — CID 34840464

IUPAC1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(OCc3cccc(C)c3)c2)CC1
InChIInChI=1S/C21H24N2O3/c1-16-5-3-6-18(13-16)15-26-20-8-4-7-19(14-20)21(25)23-11-9-22(10-12-23)17(2)24/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyAJUIFDKFFSIFTJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.88
Rot. Bonds4

About 1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone

1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone (PubChem CID 34840464) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
PubChem CID34840464
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cccc(OCc3cccc(C)c3)c2)CC1
InChIInChI=1S/C21H24N2O3/c1-16-5-3-6-18(13-16)15-26-20-8-4-7-19(14-20)21(25)23-11-9-22(10-12-23)17(2)24/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyAJUIFDKFFSIFTJ-UHFFFAOYSA-N
XLogP2.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46666074
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 55890801
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347886
(3-aminopyrrolidin-1-yl)-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 146081197
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 119664072
[3-[(4-ethoxyphenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325261
[3-[(4-chlorophenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325225
[3-[(4-bromophenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325231
[3-[(3-methylphenyl)methoxy]phenyl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 38012746
ethyl 4-[4-[(3-methylphenoxy)methyl]benzoyl]piperazine-1-carboxylate
CID 2976842
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
[3-[4-[3-(3-methylphenyl)propanoyl]piperazine-1-carbonyl]phenyl] acetate
CID 108926770

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone (CID 34840464) is 1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cccc(OCc3cccc(C)c3)c2)CC1.
What is the InChIKey of 1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone?
The InChIKey is AJUIFDKFFSIFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16-5-3-6-18(13-16)15-26-20-8-4-7-19(14-20)21(25)23-11-9-22(10-12-23)17(2)24/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone?
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone has a molecular weight of 352.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 34840464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).