4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C16H27NO4 — CID 59527883

IUPAC4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)O)(C2CCCC2)CC1
InChIInChI=1S/C16H27NO4/c1-15(2,3)21-14(20)17-10-8-16(9-11-17,13(18)19)12-6-4-5-7-12/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyCBDGZASONRZPOP-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.28
Rot. Bonds2

About 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 59527883) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID59527883
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)O)(C2CCCC2)CC1
InChIInChI=1S/C16H27NO4/c1-15(2,3)21-14(20)17-10-8-16(9-11-17,13(18)19)12-6-4-5-7-12/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyCBDGZASONRZPOP-UHFFFAOYSA-N
XLogP3.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 59527883) is 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(C(=O)O)(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is CBDGZASONRZPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-15(2,3)21-14(20)17-10-8-16(9-11-17,13(18)19)12-6-4-5-7-12/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 297.39 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 59527883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).