6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid

C18H26N2O5 — CID 19034100

IUPAC6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C18H26N2O5/c1-18(2,3)25-17(23)20-9-6-13(7-10-20)8-11-24-15-5-4-14(12-19-15)16(21)22/h4-5,12-13H,6-11H2,1-3H3,(H,21,22)
InChIKeyLQWRHKDRJKQUSU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.20
Rot. Bonds5

About 6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid

6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid (PubChem CID 19034100) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid
PubChem CID19034100
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCOc2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C18H26N2O5/c1-18(2,3)25-17(23)20-9-6-13(7-10-20)8-11-24-15-5-4-14(12-19-15)16(21)22/h4-5,12-13H,6-11H2,1-3H3,(H,21,22)
InChIKeyLQWRHKDRJKQUSU-UHFFFAOYSA-N
XLogP3.20
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid with MolForge

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Related Compounds

tert-butyl 4-[2-[(5-nitro-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 71630071
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 71630068
tert-butyl (3R)-3-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 97176758
tert-butyl 4-[2-(5-chloropyrimidin-2-yl)oxyethyl]piperidine-1-carboxylate
CID 71630074
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
CID 106202164
tert-butyl 4-[(Z)-6-methoxy-3-(6-methoxy-3-pyridinyl)-6-oxohex-3-enyl]piperidine-1-carboxylate
CID 67558657
tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
CID 143255517
tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
CID 23034009
tert-butyl 3-[(5-amino-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 118278679

Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid (CID 19034100) is 6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(CCOc2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid?
The InChIKey is LQWRHKDRJKQUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-18(2,3)25-17(23)20-9-6-13(7-10-20)8-11-24-15-5-4-14(12-19-15)16(21)22/h4-5,12-13H,6-11H2,1-3H3,(H,21,22).
What are the key properties of 6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid?
6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 19034100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).