1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid

C20H21NO3 — CID 45429214

IUPAC1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C20H21NO3/c22-19(21-12-4-7-18(14-21)20(23)24)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,23,24)
InChIKeyKFJDYEJJMKWANL-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.22
Rot. Bonds4

About 1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid

1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid (PubChem CID 45429214) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
PubChem CID45429214
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C20H21NO3/c22-19(21-12-4-7-18(14-21)20(23)24)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,23,24)
InChIKeyKFJDYEJJMKWANL-UHFFFAOYSA-N
XLogP3.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 124699963
3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 25452719
(3S)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 29136377
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 121146584
1-[3-(4-methylbenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110394612
(3S)-1-[2-(3-bromo-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 97323823
N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348
1-[(3R,4R)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 133265703
1-[(4S)-4-(dimethylamino)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 95724805
1-[2-(4-aminophenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030537
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
(3S,4S)-4-methyl-1-[1-(2-phenylacetyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120952273

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid (CID 45429214) is 1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is KFJDYEJJMKWANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-19(21-12-4-7-18(14-21)20(23)24)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,23,24).
What are the key properties of 1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid?
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 45429214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).