oxadiazole;piperidine-3-carboxylic acid

C8H13N3O3 — CID 157377265

IUPACoxadiazole;piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCNC1.c1conn1
InChIInChI=1S/C6H11NO2.C2H2N2O/c8-6(9)5-2-1-3-7-4-5;1-2-5-4-3-1/h5,7H,1-4H2,(H,8,9);1-2H
InChIKeyBKLQUBMXBRGRJN-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.14
Rot. Bonds1

About oxadiazole;piperidine-3-carboxylic acid

oxadiazole;piperidine-3-carboxylic acid (PubChem CID 157377265) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is oxadiazole;piperidine-3-carboxylic acid.

Molecular Properties

Compound Nameoxadiazole;piperidine-3-carboxylic acid
PubChem CID157377265
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Nameoxadiazole;piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCNC1.c1conn1
InChIInChI=1S/C6H11NO2.C2H2N2O/c8-6(9)5-2-1-3-7-4-5;1-2-5-4-3-1/h5,7H,1-4H2,(H,8,9);1-2H
InChIKeyBKLQUBMXBRGRJN-UHFFFAOYSA-N
XLogP0.14
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

oxadiazole;pyrrolidine-3-carboxylic acid
CID 162054927
piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid
CID 159112921
di(piperidin-3-yl)methanone
CID 69183047
oxadiazole;(2S)-pyrrolidine-2-carbaldehyde
CID 126698192
(4S)-azepane-4-carboxylic acid
CID 59261053
ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid
CID 141098708
cyclobutyl-[(3R)-piperidin-3-yl]methanone
CID 124604189
1,4,8,11-tetrazacyclotetradecane-6-carboxylic acid;tetrahydrochloride
CID 172994714
(3S)-N-(1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 81139342
2-piperidin-3-ylprop-2-enoic acid
CID 117266899
furan-3-yl(piperidin-3-yl)methanone
CID 116548121
N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119261708

Frequently Asked Questions

What is the IUPAC name of oxadiazole;piperidine-3-carboxylic acid?
The IUPAC name of oxadiazole;piperidine-3-carboxylic acid (CID 157377265) is oxadiazole;piperidine-3-carboxylic acid.
What is the SMILES notation for oxadiazole;piperidine-3-carboxylic acid?
The canonical SMILES for oxadiazole;piperidine-3-carboxylic acid is O=C(O)C1CCCNC1.c1conn1.
What is the InChIKey of oxadiazole;piperidine-3-carboxylic acid?
The InChIKey is BKLQUBMXBRGRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H2N2O/c8-6(9)5-2-1-3-7-4-5;1-2-5-4-3-1/h5,7H,1-4H2,(H,8,9);1-2H.
What are the key properties of oxadiazole;piperidine-3-carboxylic acid?
oxadiazole;piperidine-3-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;piperidine-3-carboxylic acid is sourced from PubChem (CID 157377265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).