4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid

C14H15N3O3 — CID 82625991

IUPAC4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(c2nc(-c3ccccc3)no2)CCNCC1
InChIInChI=1S/C14H15N3O3/c18-13(19)14(6-8-15-9-7-14)12-16-11(17-20-12)10-4-2-1-3-5-10/h1-5,15H,6-9H2,(H,18,19)
InChIKeyAQPCHAUZHLFOLO-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.44
Rot. Bonds3

About 4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid

4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 82625991) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid
PubChem CID82625991
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(c2nc(-c3ccccc3)no2)CCNCC1
InChIInChI=1S/C14H15N3O3/c18-13(19)14(6-8-15-9-7-14)12-16-11(17-20-12)10-4-2-1-3-5-10/h1-5,15H,6-9H2,(H,18,19)
InChIKeyAQPCHAUZHLFOLO-UHFFFAOYSA-N
XLogP1.44
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950041
5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 63123750
3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144177
1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
CID 119947729
3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123728
4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950095
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743243
4-(3-aminophenyl)piperidine-4-carboxylic acid
CID 103194003
ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79472477
5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
CID 120834711
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56883814
4-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889000

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid (CID 82625991) is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid is O=C(O)C1(c2nc(-c3ccccc3)no2)CCNCC1.
What is the InChIKey of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is AQPCHAUZHLFOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13(19)14(6-8-15-9-7-14)12-16-11(17-20-12)10-4-2-1-3-5-10/h1-5,15H,6-9H2,(H,18,19).
What are the key properties of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid?
4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82625991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).