(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid

C20H19NO4 — CID 97233562

IUPAC(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C20H19NO4/c22-18(14-7-2-1-3-8-14)16-10-4-5-11-17(16)19(23)21-12-6-9-15(13-21)20(24)25/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,24,25)/t15-/m1/s1
InChIKeyVNGPHADJVUOWEO-OAHLLOKOSA-N
MW337.38 g/mol
LogP2.85
Rot. Bonds4

About (3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid

(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 97233562) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
PubChem CID97233562
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C20H19NO4/c22-18(14-7-2-1-3-8-14)16-10-4-5-11-17(16)19(23)21-12-6-9-15(13-21)20(24)25/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,24,25)/t15-/m1/s1
InChIKeyVNGPHADJVUOWEO-OAHLLOKOSA-N
XLogP2.85
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
phenyl-[2-(3-phenylazepane-1-carbonyl)phenyl]methanone
CID 121130874
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 110886887
1-(2-benzylbenzoyl)piperidine-3-carboxylic acid
CID 45429245
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671
(3S)-1-(2-methylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 119112070
1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid
CID 45429227
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
CID 119592633
1-[2-(3,4-dimethylbenzoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353919
1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
CID 171389822

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid (CID 97233562) is (3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid is O=C(c1ccccc1)c1ccccc1C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is VNGPHADJVUOWEO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19NO4/c22-18(14-7-2-1-3-8-14)16-10-4-5-11-17(16)19(23)21-12-6-9-15(13-21)20(24)25/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,24,25)/t15-/m1/s1.
What are the key properties of (3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid?
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 97233562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).