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

C17H23N3O5 — CID 59406473

IUPAC6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C17H23N3O5/c1-17(2,3)25-16(24)20-9-7-11(8-10-20)18-14(21)12-5-4-6-13(19-12)15(22)23/h4-6,11H,7-10H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyOAJBQNFOYHNXRM-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.91
Rot. Bonds3

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

6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 59406473) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID59406473
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C17H23N3O5/c1-17(2,3)25-16(24)20-9-7-11(8-10-20)18-14(21)12-5-4-6-13(19-12)15(22)23/h4-6,11H,7-10H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyOAJBQNFOYHNXRM-UHFFFAOYSA-N
XLogP1.91
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid (CID 59406473) is 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is OAJBQNFOYHNXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-17(2,3)25-16(24)20-9-7-11(8-10-20)18-14(21)12-5-4-6-13(19-12)15(22)23/h4-6,11H,7-10H2,1-3H3,(H,18,21)(H,22,23).
What are the key properties of 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid?
6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59406473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).