4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid

C17H19N3O4 — CID 166393675

IUPAC4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid
SMILESCc1nnc([C@@H]2CCCN(C(=O)c3ccc(C(=O)O)cc3)[C@@H]2C)o1
InChIInChI=1S/C17H19N3O4/c1-10-14(15-19-18-11(2)24-15)4-3-9-20(10)16(21)12-5-7-13(8-6-12)17(22)23/h5-8,10,14H,3-4,9H2,1-2H3,(H,22,23)/t10-,14-/m1/s1
InChIKeyDKVNFAKGJKAFIQ-QMTHXVAHSA-N
MW329.36 g/mol
LogP2.48
Rot. Bonds3

About 4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid

4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid (PubChem CID 166393675) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid
PubChem CID166393675
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid
SMILESCc1nnc([C@@H]2CCCN(C(=O)c3ccc(C(=O)O)cc3)[C@@H]2C)o1
InChIInChI=1S/C17H19N3O4/c1-10-14(15-19-18-11(2)24-15)4-3-9-20(10)16(21)12-5-7-13(8-6-12)17(22)23/h5-8,10,14H,3-4,9H2,1-2H3,(H,22,23)/t10-,14-/m1/s1
InChIKeyDKVNFAKGJKAFIQ-QMTHXVAHSA-N
XLogP2.48
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic 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

[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11582434
(4-chlorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 59347461
1-[(2S,3S)-3-[5-(furan-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-methylpiperidin-1-yl]ethanone
CID 154762094
[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 75398360
4-[(2S)-2-cyclobutylpyrrolidine-1-carbonyl]benzoic acid
CID 124701022
4-[(2S)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 129470732
3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoic acid
CID 167900787
[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110421376
(4-chlorophenyl)-[2-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 10342625
(4-methylphenyl)-[(2S)-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 124968761
1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 167934848
[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 46086282

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid?
The IUPAC name of 4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid (CID 166393675) is 4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid?
The canonical SMILES for 4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid is Cc1nnc([C@@H]2CCCN(C(=O)c3ccc(C(=O)O)cc3)[C@@H]2C)o1.
What is the InChIKey of 4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid?
The InChIKey is DKVNFAKGJKAFIQ-QMTHXVAHSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10-14(15-19-18-11(2)24-15)4-3-9-20(10)16(21)12-5-7-13(8-6-12)17(22)23/h5-8,10,14H,3-4,9H2,1-2H3,(H,22,23)/t10-,14-/m1/s1.
What are the key properties of 4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid?
4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid has a molecular weight of 329.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R)-2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 166393675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).