2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

C20H20N4O3 — CID 95130318

IUPAC2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCC[C@@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H20N4O3/c25-20(26)16-9-4-10-21-17(16)13-24-11-5-8-15(12-24)19-22-18(23-27-19)14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13H2,(H,25,26)/t15-/m1/s1
InChIKeyDUCJRDZLHRXNBX-OAHLLOKOSA-N
MW364.40 g/mol
LogP3.21
Rot. Bonds5

About 2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 95130318) has the molecular formula C20H20N4O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID95130318
Molecular FormulaC20H20N4O3
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC Name2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCC[C@@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H20N4O3/c25-20(26)16-9-4-10-21-17(16)13-24-11-5-8-15(12-24)19-22-18(23-27-19)14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13H2,(H,25,26)/t15-/m1/s1
InChIKeyDUCJRDZLHRXNBX-OAHLLOKOSA-N
XLogP3.21
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95143538
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50973299
1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone
CID 99961813
2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 124730881
3-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanoic acid
CID 119921434
2-phenyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 42760576
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]hexan-1-one
CID 4037944
1-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 7351261
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047
[3,5-bis(trifluoromethyl)phenyl]-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 4045470
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
CID 119921304
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 95130318) is 2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1CN1CCC[C@@H](c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of 2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is DUCJRDZLHRXNBX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20(26)16-9-4-10-21-17(16)13-24-11-5-8-15(12-24)19-22-18(23-27-19)14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13H2,(H,25,26)/t15-/m1/s1.
What are the key properties of 2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 95130318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).