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

C12H18N4O4 — CID 106404318

IUPAC4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCCc2ncon2)C(C(=O)O)C1
InChIInChI=1S/C12H18N4O4/c1-8-3-5-16(9(6-8)11(17)18)12(19)13-4-2-10-14-7-20-15-10/h7-9H,2-6H2,1H3,(H,13,19)(H,17,18)
InChIKeyHZNXCARSHGJLLL-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.51
Rot. Bonds4

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

4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 106404318) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID106404318
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCCc2ncon2)C(C(=O)O)C1
InChIInChI=1S/C12H18N4O4/c1-8-3-5-16(9(6-8)11(17)18)12(19)13-4-2-10-14-7-20-15-10/h7-9H,2-6H2,1H3,(H,13,19)(H,17,18)
InChIKeyHZNXCARSHGJLLL-UHFFFAOYSA-N
XLogP0.51
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106420234
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 106404747
4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 114425482
1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425178
4-methyl-1-(pyridin-2-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 114425193
1-[(4-bromothiophen-2-yl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425618
4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114425328
(4R)-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106403333

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid (CID 106404318) is 4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid is CC1CCN(C(=O)NCCc2ncon2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is HZNXCARSHGJLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-8-3-5-16(9(6-8)11(17)18)12(19)13-4-2-10-14-7-20-15-10/h7-9H,2-6H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 106404318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).