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

C22H25NO4 — CID 146134846

IUPAC2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid
SMILESCOc1ccc(C(=O)C2CCN(C(C(=O)O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C22H25NO4/c1-15-5-3-4-6-19(15)20(22(25)26)23-13-11-17(12-14-23)21(24)16-7-9-18(27-2)10-8-16/h3-10,17,20H,11-14H2,1-2H3,(H,25,26)
InChIKeyJVXIZQORVCCIMB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.72
Rot. Bonds6

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

2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid (PubChem CID 146134846) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid
PubChem CID146134846
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid
SMILESCOc1ccc(C(=O)C2CCN(C(C(=O)O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C22H25NO4/c1-15-5-3-4-6-19(15)20(22(25)26)23-13-11-17(12-14-23)21(24)16-7-9-18(27-2)10-8-16/h3-10,17,20H,11-14H2,1-2H3,(H,25,26)
InChIKeyJVXIZQORVCCIMB-UHFFFAOYSA-N
XLogP3.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide
CID 55501519
(Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one
CID 55909786
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
(4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone
CID 136524982
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
[1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 174249291
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
1-[(3-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 3889238
2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid
CID 72907311
but-2-enedioic acid;[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 3059400

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid?
The IUPAC name of 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid (CID 146134846) is 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid is COc1ccc(C(=O)C2CCN(C(C(=O)O)c3ccccc3C)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid?
The InChIKey is JVXIZQORVCCIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-15-5-3-4-6-19(15)20(22(25)26)23-13-11-17(12-14-23)21(24)16-7-9-18(27-2)10-8-16/h3-10,17,20H,11-14H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid?
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid has a molecular weight of 367.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 146134846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).