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

C16H23N3O4 — CID 22574448

IUPAC6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)18-12-6-8-19(9-7-12)13-5-4-11(10-17-13)14(20)21/h4-5,10,12H,6-9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyJBFXHESYHAKAOO-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.27
Rot. Bonds3

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

6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 22574448) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID22574448
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)18-12-6-8-19(9-7-12)13-5-4-11(10-17-13)14(20)21/h4-5,10,12H,6-9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyJBFXHESYHAKAOO-UHFFFAOYSA-N
XLogP2.27
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid (CID 22574448) is 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is JBFXHESYHAKAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)18-12-6-8-19(9-7-12)13-5-4-11(10-17-13)14(20)21/h4-5,10,12H,6-9H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid?
6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 22574448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).