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

C14H23N3O3 — CID 114426404

IUPAC4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid
SMILESCC(C)Cc1noc(CN2CCC(C)CC2C(=O)O)n1
InChIInChI=1S/C14H23N3O3/c1-9(2)6-12-15-13(20-16-12)8-17-5-4-10(3)7-11(17)14(18)19/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeyAGHOAAPGBUETGI-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.95
Rot. Bonds5

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

4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid (PubChem CID 114426404) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid
PubChem CID114426404
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid
SMILESCC(C)Cc1noc(CN2CCC(C)CC2C(=O)O)n1
InChIInChI=1S/C14H23N3O3/c1-9(2)6-12-15-13(20-16-12)8-17-5-4-10(3)7-11(17)14(18)19/h9-11H,4-8H2,1-3H3,(H,18,19)
InChIKeyAGHOAAPGBUETGI-UHFFFAOYSA-N
XLogP1.95
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 114426836
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684293
N-(3,5-dichlorophenyl)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 55628124
[4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine
CID 115963664
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]acetic acid
CID 64618289
5-cyclopropyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazole-4-carboxylic acid
CID 62056331
(4aS,6R,8aS)-6-methoxy-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 97242711
3-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 55166735
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784953
methyl (2R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-2-carboxylate
CID 79832899
[5-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]methanol
CID 114286892
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide
CID 18156030

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid (CID 114426404) is 4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid is CC(C)Cc1noc(CN2CCC(C)CC2C(=O)O)n1.
What is the InChIKey of 4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid?
The InChIKey is AGHOAAPGBUETGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)6-12-15-13(20-16-12)8-17-5-4-10(3)7-11(17)14(18)19/h9-11H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid?
4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114426404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).