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

C15H25NO4 — CID 154779816

IUPAC3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C2CC(C(=O)O)C2)CC1
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-6-4-10(5-7-16)11-8-12(9-11)13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKeyAWHUDJVRQZWAPY-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.74
Rot. Bonds2

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

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid (PubChem CID 154779816) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid
PubChem CID154779816
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C2CC(C(=O)O)C2)CC1
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-6-4-10(5-7-16)11-8-12(9-11)13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKeyAWHUDJVRQZWAPY-UHFFFAOYSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid (CID 154779816) is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid is CC(C)(C)OC(=O)N1CCC(C2CC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid?
The InChIKey is AWHUDJVRQZWAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-6-4-10(5-7-16)11-8-12(9-11)13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid?
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 154779816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).