1-benzoyl-4-phenylpiperidine-4-carboxylic acid

C19H19NO3 — CID 22240952

IUPAC1-benzoyl-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(c1ccccc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C19H19NO3/c21-17(15-7-3-1-4-8-15)20-13-11-19(12-14-20,18(22)23)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,22,23)
InChIKeyMZMMKMMYPHBMAL-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.95
Rot. Bonds3

About 1-benzoyl-4-phenylpiperidine-4-carboxylic acid

1-benzoyl-4-phenylpiperidine-4-carboxylic acid (PubChem CID 22240952) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-benzoyl-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzoyl-4-phenylpiperidine-4-carboxylic acid
PubChem CID22240952
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1-benzoyl-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(c1ccccc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C19H19NO3/c21-17(15-7-3-1-4-8-15)20-13-11-19(12-14-20,18(22)23)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,22,23)
InChIKeyMZMMKMMYPHBMAL-UHFFFAOYSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246
1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433186
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45338237
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
4-phenyl-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidine-4-carboxylic acid
CID 71065837
1-[4-(3,4-dichlorophenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68508237
4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
CID 45433546
1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433235
1-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-3-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512840
1-(2-methylbut-2-enoyl)-4-phenylpiperidine-4-carboxylic acid
CID 91943939
1-(2,5-dichlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433248

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-benzoyl-4-phenylpiperidine-4-carboxylic acid (CID 22240952) is 1-benzoyl-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-benzoyl-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-benzoyl-4-phenylpiperidine-4-carboxylic acid is O=C(c1ccccc1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is MZMMKMMYPHBMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-17(15-7-3-1-4-8-15)20-13-11-19(12-14-20,18(22)23)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,22,23).
What are the key properties of 1-benzoyl-4-phenylpiperidine-4-carboxylic acid?
1-benzoyl-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 22240952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).