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

C17H29NO4 — CID 139022483

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C2CCCCC2C(=O)O)CC1
InChIInChI=1S/C17H29NO4/c1-17(2,3)22-16(21)18-10-8-12(9-11-18)13-6-4-5-7-14(13)15(19)20/h12-14H,4-11H2,1-3H3,(H,19,20)
InChIKeySWYPSOKKQZJXEP-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.52
Rot. Bonds2

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

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid (PubChem CID 139022483) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid
PubChem CID139022483
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C2CCCCC2C(=O)O)CC1
InChIInChI=1S/C17H29NO4/c1-17(2,3)22-16(21)18-10-8-12(9-11-18)13-6-4-5-7-14(13)15(19)20/h12-14H,4-11H2,1-3H3,(H,19,20)
InChIKeySWYPSOKKQZJXEP-UHFFFAOYSA-N
XLogP3.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid (CID 139022483) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid is CC(C)(C)OC(=O)N1CCC(C2CCCCC2C(=O)O)CC1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid?
The InChIKey is SWYPSOKKQZJXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-17(2,3)22-16(21)18-10-8-12(9-11-18)13-6-4-5-7-14(13)15(19)20/h12-14H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid has a molecular weight of 311.42 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 139022483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).