2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid

C16H22N2O3 — CID 79612782

IUPAC2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCc1ccccc1N(C)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H22N2O3/c1-12-5-3-4-6-14(12)17(2)16(21)18-9-7-13(8-10-18)11-15(19)20/h3-6,13H,7-11H2,1-2H3,(H,19,20)
InChIKeyHWRCCTCUFODALF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.74
Rot. Bonds3

About 2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid

2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79612782) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
PubChem CID79612782
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCc1ccccc1N(C)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H22N2O3/c1-12-5-3-4-6-14(12)17(2)16(21)18-9-7-13(8-10-18)11-15(19)20/h3-6,13H,7-11H2,1-2H3,(H,19,20)
InChIKeyHWRCCTCUFODALF-UHFFFAOYSA-N
XLogP2.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032105
N-methyl-N-(2-methylphenyl)morpholine-4-carboxamide
CID 116655392
2-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid
CID 79614738
2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64618271
2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid
CID 120684687
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609917
1-[methyl-(2-methylphenyl)carbamoyl]azepane-2-carboxylic acid
CID 64562150
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657444
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid (CID 79612782) is 2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid is Cc1ccccc1N(C)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is HWRCCTCUFODALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-5-3-4-6-14(12)17(2)16(21)18-9-7-13(8-10-18)11-15(19)20/h3-6,13H,7-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79612782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).