2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid

C17H23NO4 — CID 120684670

IUPAC2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid
SMILESCOc1c(C)cc(C(=O)N2CCC(CC(=O)O)CC2)cc1C
InChIInChI=1S/C17H23NO4/c1-11-8-14(9-12(2)16(11)22-3)17(21)18-6-4-13(5-7-18)10-15(19)20/h8-9,13H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyICGZCMLMURYPCD-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.64
Rot. Bonds4

About 2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid

2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid (PubChem CID 120684670) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid
PubChem CID120684670
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid
SMILESCOc1c(C)cc(C(=O)N2CCC(CC(=O)O)CC2)cc1C
InChIInChI=1S/C17H23NO4/c1-11-8-14(9-12(2)16(11)22-3)17(21)18-6-4-13(5-7-18)10-15(19)20/h8-9,13H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyICGZCMLMURYPCD-UHFFFAOYSA-N
XLogP2.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid
CID 138001992
2-[1-(3-bromo-4-methylbenzoyl)piperidin-4-yl]acetic acid
CID 81360577
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 83057486
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid
CID 107938177
2-[1-(2-bromo-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 154836645
2-[1-(3-bromo-5-propan-2-yloxybenzoyl)piperidin-4-yl]acetic acid
CID 119178495
2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
CID 78980430
2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
CID 79612502
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546431

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid (CID 120684670) is 2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid is COc1c(C)cc(C(=O)N2CCC(CC(=O)O)CC2)cc1C.
What is the InChIKey of 2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid?
The InChIKey is ICGZCMLMURYPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11-8-14(9-12(2)16(11)22-3)17(21)18-6-4-13(5-7-18)10-15(19)20/h8-9,13H,4-7,10H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid?
2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid has a molecular weight of 305.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 120684670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).