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

C17H21N3O3 — CID 119907371

IUPAC1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCCc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C17H21N3O3/c21-17(22)14-8-11-20(12-9-14)10-4-7-15-18-16(19-23-15)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,21,22)
InChIKeyINUNTGYUPGWMHL-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.47
Rot. Bonds6

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

1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid (PubChem CID 119907371) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid
PubChem CID119907371
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CCCc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C17H21N3O3/c21-17(22)14-8-11-20(12-9-14)10-4-7-15-18-16(19-23-15)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,21,22)
InChIKeyINUNTGYUPGWMHL-UHFFFAOYSA-N
XLogP2.47
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-2-methyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid
CID 136588450
N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 55921774
5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909011
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947
N-ethyl-4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide
CID 86912395
3-phenyl-5-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]-1,2,4-oxadiazole
CID 52544370
N-[3-(azepan-1-yl)propyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115484
5-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 52525759
3-[methyl-[1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]amino]propan-1-ol
CID 111448317
5-[3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 55446107
N-methyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 35318189

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid (CID 119907371) is 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CCCc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid?
The InChIKey is INUNTGYUPGWMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-17(22)14-8-11-20(12-9-14)10-4-7-15-18-16(19-23-15)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,21,22).
What are the key properties of 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid?
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119907371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).