1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid

C20H21NO4 — CID 22240655

IUPAC1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H21NO4/c1-25-17-9-7-15(8-10-17)18(22)21-13-11-20(12-14-21,19(23)24)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,23,24)
InChIKeyMULUEUCYBIVMGD-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid

1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 22240655) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID22240655
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H21NO4/c1-25-17-9-7-15(8-10-17)18(22)21-13-11-20(12-14-21,19(23)24)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,23,24)
InChIKeyMULUEUCYBIVMGD-UHFFFAOYSA-N
XLogP2.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
CID 45433546
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512900
4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45338237
1-(5-methoxy-2-nitrobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 75428742
4-phenyl-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidine-4-carboxylic acid
CID 71065837
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
1-[4-(3,4-dichlorophenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68508237
[1-(4-methoxybenzoyl)-4-phenylpiperidin-4-yl] N-[(4-methoxyphenyl)methyl]carbamate
CID 71133933

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid (CID 22240655) is 1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid is COc1ccc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is MULUEUCYBIVMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-25-17-9-7-15(8-10-17)18(22)21-13-11-20(12-14-21,19(23)24)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,23,24).
What are the key properties of 1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid?
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 22240655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).