3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid

C19H19NO3 — CID 154960197

IUPAC3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid
SMILESO=C1CCCN(C(=O)O)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H19NO3/c21-18-10-5-11-20(19(22)23)17(18)13-14-6-4-9-16(12-14)15-7-2-1-3-8-15/h1-4,6-9,12,17H,5,10-11,13H2,(H,22,23)
InChIKeyNJCLHQAIUZVSCL-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.61
Rot. Bonds3

About 3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid

3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid (PubChem CID 154960197) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid
PubChem CID154960197
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid
SMILESO=C1CCCN(C(=O)O)C1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H19NO3/c21-18-10-5-11-20(19(22)23)17(18)13-14-6-4-9-16(12-14)15-7-2-1-3-8-15/h1-4,6-9,12,17H,5,10-11,13H2,(H,22,23)
InChIKeyNJCLHQAIUZVSCL-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 154960242
2-[(3-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
CID 19967089
4-(1-acetylpiperidine-4-carbonyl)-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one
CID 110088314
2-[[4-fluoro-3-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enoxy]phenyl]phenyl]methyl]-3-oxopiperidine-1-carboxylic acid
CID 170189303
[1-(1-fluorocyclopropanecarbonyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]azanium
CID 142524746
(4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 125021051
4-ethyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-6-[(3-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 110230403
tert-butyl 3-amino-3-(aminomethyl)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 166107663
cyclobutylmethyl 3-amino-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137470985
4-[3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 110088305
N-[1-butanoyl-2-[(3-phenylphenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 147041468
4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one
CID 110250541

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid (CID 154960197) is 3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid is O=C1CCCN(C(=O)O)C1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid?
The InChIKey is NJCLHQAIUZVSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-18-10-5-11-20(19(22)23)17(18)13-14-6-4-9-16(12-14)15-7-2-1-3-8-15/h1-4,6-9,12,17H,5,10-11,13H2,(H,22,23).
What are the key properties of 3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid?
3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid has a molecular weight of 309.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 154960197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).