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

C16H18N4O4 — CID 174238017

IUPAC2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
SMILESO=C(Cc1noc(C2CCCCN2C(=O)O)n1)Nc1ccccc1
InChIInChI=1S/C16H18N4O4/c21-14(17-11-6-2-1-3-7-11)10-13-18-15(24-19-13)12-8-4-5-9-20(12)16(22)23/h1-3,6-7,12H,4-5,8-10H2,(H,17,21)(H,22,23)
InChIKeyZMFIBBFFCCKWEZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.46
Rot. Bonds4

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

2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid (PubChem CID 174238017) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
PubChem CID174238017
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
SMILESO=C(Cc1noc(C2CCCCN2C(=O)O)n1)Nc1ccccc1
InChIInChI=1S/C16H18N4O4/c21-14(17-11-6-2-1-3-7-11)10-13-18-15(24-19-13)12-8-4-5-9-20(12)16(22)23/h1-3,6-7,12H,4-5,8-10H2,(H,17,21)(H,22,23)
InChIKeyZMFIBBFFCCKWEZ-UHFFFAOYSA-N
XLogP2.46
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-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

N-phenyl-2-[5-[(1R,2R)-2-(pyrrolidine-1-carbonyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 100659849
1-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 166545183
(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 7373907
cyclopentyl-[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91920788
N-phenyl-2-[5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 124843527
2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838527
2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride
CID 120838608
(E)-1-[(2R)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 51984750
cyclopentyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 42765321
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-phenylbutan-1-one
CID 56728305
tert-butyl (2S)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 166545251
(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407287

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid?
The IUPAC name of 2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid (CID 174238017) is 2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid is O=C(Cc1noc(C2CCCCN2C(=O)O)n1)Nc1ccccc1.
What is the InChIKey of 2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid?
The InChIKey is ZMFIBBFFCCKWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c21-14(17-11-6-2-1-3-7-11)10-13-18-15(24-19-13)12-8-4-5-9-20(12)16(22)23/h1-3,6-7,12H,4-5,8-10H2,(H,17,21)(H,22,23).
What are the key properties of 2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid?
2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174238017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).