3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid

C17H23NO5 — CID 22291066

IUPAC3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-9-7-13(8-10-18)22-14-6-4-5-12(11-14)15(19)20/h4-6,11,13H,7-10H2,1-3H3,(H,19,20)
InChIKeyGUHLCCZKORFGQB-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.16
Rot. Bonds3

About 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid (PubChem CID 22291066) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid.

Molecular Properties

Compound Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
PubChem CID22291066
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-9-7-13(8-10-18)22-14-6-4-5-12(11-14)15(19)20/h4-6,11,13H,7-10H2,1-3H3,(H,19,20)
InChIKeyGUHLCCZKORFGQB-UHFFFAOYSA-N
XLogP3.16
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid?
The IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid (CID 22291066) is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid.
What is the SMILES notation for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid?
The canonical SMILES for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid is CC(C)(C)OC(=O)N1CCC(Oc2cccc(C(=O)O)c2)CC1.
What is the InChIKey of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid?
The InChIKey is GUHLCCZKORFGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-9-7-13(8-10-18)22-14-6-4-5-12(11-14)15(19)20/h4-6,11,13H,7-10H2,1-3H3,(H,19,20).
What are the key properties of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid?
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid has a molecular weight of 321.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid is sourced from PubChem (CID 22291066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).