2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid

C24H29NO4 — CID 154871166

IUPAC2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESCC(C)c1ccc(C(=O)C2CCN(Cc3cccc(OCC(=O)O)c3)CC2)cc1
InChIInChI=1S/C24H29NO4/c1-17(2)19-6-8-20(9-7-19)24(28)21-10-12-25(13-11-21)15-18-4-3-5-22(14-18)29-16-23(26)27/h3-9,14,17,21H,10-13,15-16H2,1-2H3,(H,26,27)
InChIKeyLOHWZRUWZLLNMW-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.37
Rot. Bonds8

About 2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid

2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 154871166) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID154871166
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESCC(C)c1ccc(C(=O)C2CCN(Cc3cccc(OCC(=O)O)c3)CC2)cc1
InChIInChI=1S/C24H29NO4/c1-17(2)19-6-8-20(9-7-19)24(28)21-10-12-25(13-11-21)15-18-4-3-5-22(14-18)29-16-23(26)27/h3-9,14,17,21H,10-13,15-16H2,1-2H3,(H,26,27)
InChIKeyLOHWZRUWZLLNMW-UHFFFAOYSA-N
XLogP4.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065761
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
CID 19771944
1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide
CID 54848162
1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43411799
2-[3-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 119246779
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23724163
[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 3493340
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid (CID 154871166) is 2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid is CC(C)c1ccc(C(=O)C2CCN(Cc3cccc(OCC(=O)O)c3)CC2)cc1.
What is the InChIKey of 2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is LOHWZRUWZLLNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-17(2)19-6-8-20(9-7-19)24(28)21-10-12-25(13-11-21)15-18-4-3-5-22(14-18)29-16-23(26)27/h3-9,14,17,21H,10-13,15-16H2,1-2H3,(H,26,27).
What are the key properties of 2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid?
2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 395.50 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(4-propan-2-ylbenzoyl)piperidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 154871166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).