2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid

C17H23NO3 — CID 120684687

IUPAC2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid
SMILESCc1cccc(C)c1CC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C17H23NO3/c1-12-4-3-5-13(2)15(12)11-16(19)18-8-6-14(7-9-18)10-17(20)21/h3-5,14H,6-11H2,1-2H3,(H,20,21)
InChIKeyDRCOYEHULNVJLV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.56
Rot. Bonds4

About 2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid

2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid (PubChem CID 120684687) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid
PubChem CID120684687
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid
SMILESCc1cccc(C)c1CC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C17H23NO3/c1-12-4-3-5-13(2)15(12)11-16(19)18-8-6-14(7-9-18)10-17(20)21/h3-5,14H,6-11H2,1-2H3,(H,20,21)
InChIKeyDRCOYEHULNVJLV-UHFFFAOYSA-N
XLogP2.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468
2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177850
2-[1-[2-(4-bromo-2-methylphenyl)acetyl]piperidin-4-yl]acetic acid
CID 120515553
2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid
CID 79614738
2-[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612727
2-[1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidin-4-yl]acetic acid
CID 119178008
2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79612782
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792622
2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid
CID 119178451

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid (CID 120684687) is 2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid is Cc1cccc(C)c1CC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid?
The InChIKey is DRCOYEHULNVJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-4-3-5-13(2)15(12)11-16(19)18-8-6-14(7-9-18)10-17(20)21/h3-5,14H,6-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid?
2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 120684687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).