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

C14H21N3O4 — CID 63903801

IUPAC3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C14H21N3O4/c18-13(19)5-8-20-11-3-6-17(7-4-11)9-12-15-14(21-16-12)10-1-2-10/h10-11H,1-9H2,(H,18,19)
InChIKeyABQALWMNPCYTLM-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.40
Rot. Bonds7

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

3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 63903801) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
PubChem CID63903801
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C14H21N3O4/c18-13(19)5-8-20-11-3-6-17(7-4-11)9-12-15-14(21-16-12)10-1-2-10/h10-11H,1-9H2,(H,18,19)
InChIKeyABQALWMNPCYTLM-UHFFFAOYSA-N
XLogP1.40
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79606646
3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
CID 63904751
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909690
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63848408
2-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]oxyacetic acid
CID 63904154
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
N-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926550
3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65066006
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55164811
1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea
CID 166601372
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903233

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid (CID 63903801) is 3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(Cc2noc(C3CC3)n2)CC1.
What is the InChIKey of 3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is ABQALWMNPCYTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c18-13(19)5-8-20-11-3-6-17(7-4-11)9-12-15-14(21-16-12)10-1-2-10/h10-11H,1-9H2,(H,18,19).
What are the key properties of 3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63903801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).