2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid

C24H29NO4 — CID 11646898

IUPAC2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid
SMILESCC(C)(Oc1cccc(C2CCCN(C(=O)CCc3ccccc3)C2)c1)C(=O)O
InChIInChI=1S/C24H29NO4/c1-24(2,23(27)28)29-21-12-6-10-19(16-21)20-11-7-15-25(17-20)22(26)14-13-18-8-4-3-5-9-18/h3-6,8-10,12,16,20H,7,11,13-15,17H2,1-2H3,(H,27,28)
InChIKeyBVGVQANZVSYDCY-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.27
Rot. Bonds7

About 2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid

2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid (PubChem CID 11646898) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid
PubChem CID11646898
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid
SMILESCC(C)(Oc1cccc(C2CCCN(C(=O)CCc3ccccc3)C2)c1)C(=O)O
InChIInChI=1S/C24H29NO4/c1-24(2,23(27)28)29-21-12-6-10-19(16-21)20-11-7-15-25(17-20)22(26)14-13-18-8-4-3-5-9-18/h3-6,8-10,12,16,20H,7,11,13-15,17H2,1-2H3,(H,27,28)
InChIKeyBVGVQANZVSYDCY-UHFFFAOYSA-N
XLogP4.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[3-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]phenoxy]propanoic acid
CID 10344341
2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid
CID 11697032
2-methyl-2-[3-(1-phenylmethoxycarbonylpiperidin-3-yl)phenoxy]propanoic acid
CID 68883968
3-[3-(2-carboxypropan-2-yloxy)phenyl]piperidine-1-carboxylic acid
CID 18448442
2-[3-[1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]phenoxy]-2-methylpropanoic acid
CID 11582420
2-methyl-2-[3-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-3-yl]phenoxy]propanoic acid
CID 10433319
2-methyl-2-[3-[(3S)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-3-yl]phenoxy]propanoic acid
CID 10388494
2-[3-[(3R)-1-[(4-cyclopropylphenyl)methoxycarbonyl]piperidin-3-yl]phenoxy]-2-methylpropanoic acid
CID 10094616
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
2-methyl-2-[3-[1-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]piperidin-3-yl]phenoxy]propanoic acid
CID 68883538
2-methyl-2-[3-[1-[[4-(trifluoromethyl)phenyl]methoxycarbonyl]piperidin-3-yl]phenoxy]propanoic acid
CID 10050148
2-methyl-2-[3-[(3S)-1-(4-propan-2-ylphenoxy)carbonylpiperidin-3-yl]phenoxy]propanoic acid
CID 10320203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid (CID 11646898) is 2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid is CC(C)(Oc1cccc(C2CCCN(C(=O)CCc3ccccc3)C2)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid?
The InChIKey is BVGVQANZVSYDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-24(2,23(27)28)29-21-12-6-10-19(16-21)20-11-7-15-25(17-20)22(26)14-13-18-8-4-3-5-9-18/h3-6,8-10,12,16,20H,7,11,13-15,17H2,1-2H3,(H,27,28).
What are the key properties of 2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid?
2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid has a molecular weight of 395.50 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid is sourced from PubChem (CID 11646898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).