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

C13H19N3O3 — CID 61495168

IUPAC2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1Cc1noc(C2CC2)n1
InChIInChI=1S/C13H19N3O3/c17-12(18)7-10-3-1-2-6-16(10)8-11-14-13(19-15-11)9-4-5-9/h9-10H,1-8H2,(H,17,18)
InChIKeyNGIDLNSOBDGYIW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.78
Rot. Bonds5

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

2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid (PubChem CID 61495168) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid
PubChem CID61495168
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1Cc1noc(C2CC2)n1
InChIInChI=1S/C13H19N3O3/c17-12(18)7-10-3-1-2-6-16(10)8-11-14-13(19-15-11)9-4-5-9/h9-10H,1-8H2,(H,17,18)
InChIKeyNGIDLNSOBDGYIW-UHFFFAOYSA-N
XLogP1.78
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369742
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine
CID 63855124
methyl 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
CID 78969711
2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79606646
3-[[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 47529696
5-cyclopropyl-3-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95302421
(3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine
CID 70777105
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid
CID 66191336
1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid
CID 136555542
1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
CID 156605046
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903801

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid (CID 61495168) is 2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1Cc1noc(C2CC2)n1.
What is the InChIKey of 2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid?
The InChIKey is NGIDLNSOBDGYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-12(18)7-10-3-1-2-6-16(10)8-11-14-13(19-15-11)9-4-5-9/h9-10H,1-8H2,(H,17,18).
What are the key properties of 2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid?
2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61495168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).