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

C16H27NO4 — CID 138039617

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C2CCCC2C(=O)O)CC1
InChIInChI=1S/C16H27NO4/c1-16(2,3)21-15(20)17-9-7-11(8-10-17)12-5-4-6-13(12)14(18)19/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyWSKHOHYWEYQKLM-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.13
Rot. Bonds2

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

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid (PubChem CID 138039617) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid
PubChem CID138039617
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C2CCCC2C(=O)O)CC1
InChIInChI=1S/C16H27NO4/c1-16(2,3)21-15(20)17-9-7-11(8-10-17)12-5-4-6-13(12)14(18)19/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyWSKHOHYWEYQKLM-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid (CID 138039617) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid is CC(C)(C)OC(=O)N1CCC(C2CCCC2C(=O)O)CC1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid?
The InChIKey is WSKHOHYWEYQKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-16(2,3)21-15(20)17-9-7-11(8-10-17)12-5-4-6-13(12)14(18)19/h11-13H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid has a molecular weight of 297.39 g/mol, XLogP of 3.13, 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 138039617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).