2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid

C16H27NO3 — CID 107175719

IUPAC2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
SMILESCC1(C)CCCCC1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H27NO3/c1-16(2)8-4-3-5-13(16)15(20)17-9-6-12(7-10-17)11-14(18)19/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyLZLDXETYABBBSK-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.92
Rot. Bonds3

About 2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid

2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid (PubChem CID 107175719) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
PubChem CID107175719
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
SMILESCC1(C)CCCCC1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H27NO3/c1-16(2)8-4-3-5-13(16)15(20)17-9-6-12(7-10-17)11-14(18)19/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyLZLDXETYABBBSK-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid (CID 107175719) is 2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid is CC1(C)CCCCC1C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid?
The InChIKey is LZLDXETYABBBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-16(2)8-4-3-5-13(16)15(20)17-9-6-12(7-10-17)11-14(18)19/h12-13H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid?
2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid has a molecular weight of 281.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 107175719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).