(3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid

C22H21N3O4 — CID 124697990

IUPAC(3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)N4CCC[C@@H](C(=O)O)C4)cc3)o2)cc1
InChIInChI=1S/C22H21N3O4/c1-14-4-6-15(7-5-14)19-23-24-20(29-19)16-8-10-17(11-9-16)21(26)25-12-2-3-18(13-25)22(27)28/h4-11,18H,2-3,12-13H2,1H3,(H,27,28)/t18-/m1/s1
InChIKeyKIJHRZJYIBAFLZ-GOSISDBHSA-N
MW391.43 g/mol
LogP3.65
Rot. Bonds4

About (3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid

(3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid (PubChem CID 124697990) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is (3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid
PubChem CID124697990
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name(3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)N4CCC[C@@H](C(=O)O)C4)cc3)o2)cc1
InChIInChI=1S/C22H21N3O4/c1-14-4-6-15(7-5-14)19-23-24-20(29-19)16-8-10-17(11-9-16)21(26)25-12-2-3-18(13-25)22(27)28/h4-11,18H,2-3,12-13H2,1H3,(H,27,28)/t18-/m1/s1
InChIKeyKIJHRZJYIBAFLZ-GOSISDBHSA-N
XLogP3.65
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55622566
(3S)-1-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173905
1-[4-(1,3,4-oxadiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63030571
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
1-[(3S)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 99963730
(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 5322328
(3S)-1-(4-propylbenzoyl)piperidine-3-carboxylic acid
CID 98019288

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid (CID 124697990) is (3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid is Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCC[C@@H](C(=O)O)C4)cc3)o2)cc1.
What is the InChIKey of (3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid?
The InChIKey is KIJHRZJYIBAFLZ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14-4-6-15(7-5-14)19-23-24-20(29-19)16-8-10-17(11-9-16)21(26)25-12-2-3-18(13-25)22(27)28/h4-11,18H,2-3,12-13H2,1H3,(H,27,28)/t18-/m1/s1.
What are the key properties of (3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid?
(3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid has a molecular weight of 391.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124697990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).