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

C23H34N2O4 — CID 11697032

IUPAC2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid
SMILESCC(C)(Oc1cccc(C2CCCN(C(=O)CCN3CCCCC3)C2)c1)C(=O)O
InChIInChI=1S/C23H34N2O4/c1-23(2,22(27)28)29-20-10-6-8-18(16-20)19-9-7-14-25(17-19)21(26)11-15-24-12-4-3-5-13-24/h6,8,10,16,19H,3-5,7,9,11-15,17H2,1-2H3,(H,27,28)
InChIKeyUIADAWNUILHZGI-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.51
Rot. Bonds7

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

2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid (PubChem CID 11697032) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid
PubChem CID11697032
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Name2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid
SMILESCC(C)(Oc1cccc(C2CCCN(C(=O)CCN3CCCCC3)C2)c1)C(=O)O
InChIInChI=1S/C23H34N2O4/c1-23(2,22(27)28)29-20-10-6-8-18(16-20)19-9-7-14-25(17-19)21(26)11-15-24-12-4-3-5-13-24/h6,8,10,16,19H,3-5,7,9,11-15,17H2,1-2H3,(H,27,28)
InChIKeyUIADAWNUILHZGI-UHFFFAOYSA-N
XLogP3.51
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid with MolForge

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Related Compounds

2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid
CID 11646898
3-[3-(2-carboxypropan-2-yloxy)phenyl]piperidine-1-carboxylic acid
CID 18448442
2-methyl-2-[3-[1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]phenoxy]propanoic acid
CID 10344341
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-methyl-2-[3-(1-phenylmethoxycarbonylpiperidin-3-yl)phenoxy]propanoic acid
CID 68883968
2-[3-[(3R)-1-[(4-cyclopropylphenyl)methoxycarbonyl]piperidin-3-yl]phenoxy]-2-methylpropanoic acid
CID 10094616
2-[3-[1-[3-(2,4-dimethylphenyl)propyl]piperidin-3-yl]phenoxy]-2-methylpropanoic acid
CID 168867859
2-methyl-2-[3-[(3S)-1-(4-propan-2-ylphenoxy)carbonylpiperidin-3-yl]phenoxy]propanoic acid
CID 10320203
3-[(3S)-1-(3-morpholin-4-ylpropanoyl)piperidin-3-yl]benzoic acid
CID 97205647
2-methyl-2-[3-[1-[[4-(trifluoromethyl)phenyl]methoxycarbonyl]piperidin-3-yl]phenoxy]propanoic acid
CID 10050148

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid (CID 11697032) is 2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid is CC(C)(Oc1cccc(C2CCCN(C(=O)CCN3CCCCC3)C2)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid?
The InChIKey is UIADAWNUILHZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-23(2,22(27)28)29-20-10-6-8-18(16-20)19-9-7-14-25(17-19)21(26)11-15-24-12-4-3-5-13-24/h6,8,10,16,19H,3-5,7,9,11-15,17H2,1-2H3,(H,27,28).
What are the key properties of 2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid?
2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid has a molecular weight of 402.54 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-[1-(3-piperidin-1-ylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid is sourced from PubChem (CID 11697032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).