1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid

C15H25N3O3 — CID 63137572

IUPAC1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCCCc1noc(CN2CCCC(CC)(C(=O)O)C2)n1
InChIInChI=1S/C15H25N3O3/c1-3-5-7-12-16-13(21-17-12)10-18-9-6-8-15(4-2,11-18)14(19)20/h3-11H2,1-2H3,(H,19,20)
InChIKeyAARSZGORKBWAKM-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.49
Rot. Bonds7

About 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid

1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63137572) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID63137572
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCCCc1noc(CN2CCCC(CC)(C(=O)O)C2)n1
InChIInChI=1S/C15H25N3O3/c1-3-5-7-12-16-13(21-17-12)10-18-9-6-8-15(4-2,11-18)14(19)20/h3-11H2,1-2H3,(H,19,20)
InChIKeyAARSZGORKBWAKM-UHFFFAOYSA-N
XLogP2.49
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 63126636
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137128
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490
(3aS,6aR)-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120681511
3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 63137440
2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020572
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 86919634
(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984320
3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 65068542
3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 81318651

Frequently Asked Questions

What is the IUPAC name of 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid (CID 63137572) is 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid is CCCCc1noc(CN2CCCC(CC)(C(=O)O)C2)n1.
What is the InChIKey of 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is AARSZGORKBWAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-5-7-12-16-13(21-17-12)10-18-9-6-8-15(4-2,11-18)14(19)20/h3-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid?
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63137572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).