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

C12H18N4O4 — CID 106404494

IUPAC2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)NCCc1ncon1
InChIInChI=1S/C12H18N4O4/c1-12(10(17)18)5-2-3-7-16(12)11(19)13-6-4-9-14-8-20-15-9/h8H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyPOIKVLUFMNTWCM-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.65
Rot. Bonds4

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

2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 106404494) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID106404494
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)NCCc1ncon1
InChIInChI=1S/C12H18N4O4/c1-12(10(17)18)5-2-3-7-16(12)11(19)13-6-4-9-14-8-20-15-9/h8H,2-7H2,1H3,(H,13,19)(H,17,18)
InChIKeyPOIKVLUFMNTWCM-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperidine-2-carboxylic acid
CID 104598887
2-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 104595535
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
2-methyl-1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64523521
1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106394720
1-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 106394710
1-[(3-amino-3-oxopropyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597930
1-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 103996340
2-methyl-1-(octylcarbamoyl)piperidine-2-carboxylic acid
CID 104598392
1-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106404307
1-(1H-imidazol-2-ylmethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 113431054
1-(2-ethylsulfinylethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 113495111

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid (CID 106404494) is 2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)NCCc1ncon1.
What is the InChIKey of 2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is POIKVLUFMNTWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-12(10(17)18)5-2-3-7-16(12)11(19)13-6-4-9-14-8-20-15-9/h8H,2-7H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
2-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 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 106404494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).