2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid

C14H23N3O3 — CID 79608202

IUPAC2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid
SMILESCC(C)(C)c1noc(CN2CCC(CC(=O)O)CC2)n1
InChIInChI=1S/C14H23N3O3/c1-14(2,3)13-15-11(20-16-13)9-17-6-4-10(5-7-17)8-12(18)19/h10H,4-9H2,1-3H3,(H,18,19)
InChIKeyKLUYZBUIYVXYPF-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.05
Rot. Bonds4

About 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid

2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid (PubChem CID 79608202) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid
PubChem CID79608202
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid
SMILESCC(C)(C)c1noc(CN2CCC(CC(=O)O)CC2)n1
InChIInChI=1S/C14H23N3O3/c1-14(2,3)13-15-11(20-16-13)9-17-6-4-10(5-7-17)8-12(18)19/h10H,4-9H2,1-3H3,(H,18,19)
InChIKeyKLUYZBUIYVXYPF-UHFFFAOYSA-N
XLogP2.05
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
CID 106837116
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926686
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684185
3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanoic acid
CID 62215670
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479413
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 65250262
1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628218
(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 102977355
[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55703317
azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56825800
methyl (3S)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79037760

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid (CID 79608202) is 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid is CC(C)(C)c1noc(CN2CCC(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is KLUYZBUIYVXYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(2,3)13-15-11(20-16-13)9-17-6-4-10(5-7-17)8-12(18)19/h10H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid?
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).