propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate

C26H33NO5 — CID 22399322

IUPACpropan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate
SMILESCc1ccc(C(=O)N2CCC(O)(c3cccc(OC(C)(C)C(=O)OC(C)C)c3)CC2)cc1
InChIInChI=1S/C26H33NO5/c1-18(2)31-24(29)25(4,5)32-22-8-6-7-21(17-22)26(30)13-15-27(16-14-26)23(28)20-11-9-19(3)10-12-20/h6-12,17-18,30H,13-16H2,1-5H3
InChIKeyIEWKCZYUFSOCAW-UHFFFAOYSA-N
MW439.55 g/mol
LogP4.23
Rot. Bonds6

About propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate

propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate (PubChem CID 22399322) has the molecular formula C26H33NO5 and a molecular weight of 439.55 g/mol. Its IUPAC name is propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate
PubChem CID22399322
Molecular FormulaC26H33NO5
Molecular Weight439.55 g/mol
Exact Mass439.24
IUPAC Namepropan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate
SMILESCc1ccc(C(=O)N2CCC(O)(c3cccc(OC(C)(C)C(=O)OC(C)C)c3)CC2)cc1
InChIInChI=1S/C26H33NO5/c1-18(2)31-24(29)25(4,5)32-22-8-6-7-21(17-22)26(30)13-15-27(16-14-26)23(28)20-11-9-19(3)10-12-20/h6-12,17-18,30H,13-16H2,1-5H3
InChIKeyIEWKCZYUFSOCAW-UHFFFAOYSA-N
XLogP4.23
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoate
CID 22069416
propan-2-yl 2-[3-(1-benzoyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]-2-methylpropanoate
CID 22399375
4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid
CID 23149910
4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 138994954
2-[3-[1-(4-chlorophenyl)sulfonyl-4-hydroxypiperidin-4-yl]phenoxy]-2-methylpropanoic acid
CID 10694998
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495905
(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 81103143
propan-2-yl 2-[4-(4-hydroxybenzoyl)phenoxy]-2-methylpropanoate
CID 23328939
S-tert-butyl 4-hydroxy-4-(3-methoxyphenyl)azepane-1-carbothioate
CID 144525750
propan-2-yl 2-[4-(4-aminobenzoyl)phenoxy]-2-methylpropanoate
CID 145449077
4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 63407060
2-methyl-2-[3-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]phenoxy]propanoic acid
CID 22399105

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate?
The IUPAC name of propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate (CID 22399322) is propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate.
What is the SMILES notation for propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate?
The canonical SMILES for propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate is Cc1ccc(C(=O)N2CCC(O)(c3cccc(OC(C)(C)C(=O)OC(C)C)c3)CC2)cc1.
What is the InChIKey of propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate?
The InChIKey is IEWKCZYUFSOCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO5/c1-18(2)31-24(29)25(4,5)32-22-8-6-7-21(17-22)26(30)13-15-27(16-14-26)23(28)20-11-9-19(3)10-12-20/h6-12,17-18,30H,13-16H2,1-5H3.
What are the key properties of propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate?
propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate has a molecular weight of 439.55 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 22399322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).