1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid

C27H25NO4 — CID 68513246

IUPAC1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C27H25NO4/c1-19(29)20-7-9-21(10-8-20)22-11-13-23(14-12-22)25(30)28-17-15-27(16-18-28,26(31)32)24-5-3-2-4-6-24/h2-14H,15-18H2,1H3,(H,31,32)
InChIKeyKLNSERBZIFBLMZ-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.81
Rot. Bonds5

About 1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid

1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 68513246) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID68513246
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C27H25NO4/c1-19(29)20-7-9-21(10-8-20)22-11-13-23(14-12-22)25(30)28-17-15-27(16-18-28,26(31)32)24-5-3-2-4-6-24/h2-14H,15-18H2,1H3,(H,31,32)
InChIKeyKLNSERBZIFBLMZ-UHFFFAOYSA-N
XLogP4.81
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.81
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-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
1-[4-(3,4-dichlorophenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68508237
4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45338237
1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250905
4-phenyl-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidine-4-carboxylic acid
CID 71065837
4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
CID 45433546
1-(2-methylbut-2-enoyl)-4-phenylpiperidine-4-carboxylic acid
CID 91943939
1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433186
1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433235
1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512900

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid (CID 68513246) is 1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid is CC(=O)c1ccc(-c2ccc(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is KLNSERBZIFBLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-19(29)20-7-9-21(10-8-20)22-11-13-23(14-12-22)25(30)28-17-15-27(16-18-28,26(31)32)24-5-3-2-4-6-24/h2-14H,15-18H2,1H3,(H,31,32).
What are the key properties of 1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid?
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 427.50 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 68513246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).