1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone

C24H30N2O3 — CID 110366126

IUPAC1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H30N2O3/c1-18-7-5-6-8-21(18)29-17-22(27)25-13-15-26(16-14-25)23(28)19-9-11-20(12-10-19)24(2,3)4/h5-12H,13-17H2,1-4H3
InChIKeyOYXPDRAWCJQCHZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.66
Rot. Bonds4

About 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone

1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone (PubChem CID 110366126) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
PubChem CID110366126
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H30N2O3/c1-18-7-5-6-8-21(18)29-17-22(27)25-13-15-26(16-14-25)23(28)19-9-11-20(12-10-19)24(2,3)4/h5-12H,13-17H2,1-4H3
InChIKeyOYXPDRAWCJQCHZ-UHFFFAOYSA-N
XLogP3.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2,3-dimethylphenoxy)ethanone
CID 108535718
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39572448
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 55552002
2-(2-methylphenoxy)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798910
4-[4-[3-(2-methylphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid
CID 4739974
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39712313
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
2-(2-phenylphenoxy)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 46423310
4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050449
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 108536440
4-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 2050274

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone (CID 110366126) is 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone is Cc1ccccc1OCC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone?
The InChIKey is OYXPDRAWCJQCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18-7-5-6-8-21(18)29-17-22(27)25-13-15-26(16-14-25)23(28)19-9-11-20(12-10-19)24(2,3)4/h5-12H,13-17H2,1-4H3.
What are the key properties of 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone?
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone has a molecular weight of 394.52 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 110366126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).