propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate

C25H32N2O5 — CID 22069416

IUPACpropan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate
SMILESCOc1ccc(C(=O)N2CCN(c3cccc(OC(C)(C)C(=O)OC(C)C)c3)CC2)cc1
InChIInChI=1S/C25H32N2O5/c1-18(2)31-24(29)25(3,4)32-22-8-6-7-20(17-22)26-13-15-27(16-14-26)23(28)19-9-11-21(30-5)12-10-19/h6-12,17-18H,13-16H2,1-5H3
InChIKeyQFMPBEQWBXMFJW-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.77
Rot. Bonds7

About propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate

propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate (PubChem CID 22069416) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate
PubChem CID22069416
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Namepropan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate
SMILESCOc1ccc(C(=O)N2CCN(c3cccc(OC(C)(C)C(=O)OC(C)C)c3)CC2)cc1
InChIInChI=1S/C25H32N2O5/c1-18(2)31-24(29)25(3,4)32-22-8-6-7-20(17-22)26-13-15-27(16-14-26)23(28)19-9-11-21(30-5)12-10-19/h6-12,17-18H,13-16H2,1-5H3
InChIKeyQFMPBEQWBXMFJW-UHFFFAOYSA-N
XLogP3.77
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[4-(4-fluorobenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate
CID 22399430
2-methyl-2-[3-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]phenoxy]propanoic acid
CID 22399105
propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate
CID 22399322
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 31911957
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
2-(4-fluorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 38574818
[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 31912991
2-(4-chlorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 7551162
(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 46562920

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate?
The IUPAC name of propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate (CID 22069416) is propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate.
What is the SMILES notation for propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate?
The canonical SMILES for propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate is COc1ccc(C(=O)N2CCN(c3cccc(OC(C)(C)C(=O)OC(C)C)c3)CC2)cc1.
What is the InChIKey of propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate?
The InChIKey is QFMPBEQWBXMFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-18(2)31-24(29)25(3,4)32-22-8-6-7-20(17-22)26-13-15-27(16-14-26)23(28)19-9-11-21(30-5)12-10-19/h6-12,17-18H,13-16H2,1-5H3.
What are the key properties of propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate?
propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate has a molecular weight of 440.54 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 22069416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).