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

C18H19N3O4 — CID 124576703

IUPAC(3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1
InChIInChI=1S/C18H19N3O4/c22-17(21-8-2-5-14(10-21)18(23)24)13-4-1-3-12(9-13)15-19-16(25-20-15)11-6-7-11/h1,3-4,9,11,14H,2,5-8,10H2,(H,23,24)/t14-/m0/s1
InChIKeyMWNCQMCOCITLLU-AWEZNQCLSA-N
MW341.37 g/mol
LogP2.55
Rot. Bonds4

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

(3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid (PubChem CID 124576703) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid
PubChem CID124576703
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1
InChIInChI=1S/C18H19N3O4/c22-17(21-8-2-5-14(10-21)18(23)24)13-4-1-3-12(9-13)15-19-16(25-20-15)11-6-7-11/h1,3-4,9,11,14H,2,5-8,10H2,(H,23,24)/t14-/m0/s1
InChIKeyMWNCQMCOCITLLU-AWEZNQCLSA-N
XLogP2.55
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-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

[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 125147195
2-[4-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 126793733
(3-methoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456109
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4640264
(3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3912451
(3,4-dichlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 5126087
N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897609
(3-fluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226144
[(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone
CID 812500
(3,5-dimethoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456031
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 4037209
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid (CID 124576703) is (3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1.
What is the InChIKey of (3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is MWNCQMCOCITLLU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-17(21-8-2-5-14(10-21)18(23)24)13-4-1-3-12(9-13)15-19-16(25-20-15)11-6-7-11/h1,3-4,9,11,14H,2,5-8,10H2,(H,23,24)/t14-/m0/s1.
What are the key properties of (3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid?
(3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124576703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).