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

C12H18N4O4 — CID 106420517

IUPAC(3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1nc(CCNC(=O)N2CCC[C@@H](C(=O)O)C2)no1
InChIInChI=1S/C12H18N4O4/c1-8-14-10(15-20-8)4-5-13-12(19)16-6-2-3-9(7-16)11(17)18/h9H,2-7H2,1H3,(H,13,19)(H,17,18)/t9-/m1/s1
InChIKeyLYEVGJJNBMUPHQ-SECBINFHSA-N
MW282.30 g/mol
LogP0.43
Rot. Bonds4

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

(3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 106420517) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID106420517
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name(3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1nc(CCNC(=O)N2CCC[C@@H](C(=O)O)C2)no1
InChIInChI=1S/C12H18N4O4/c1-8-14-10(15-20-8)4-5-13-12(19)16-6-2-3-9(7-16)11(17)18/h9H,2-7H2,1H3,(H,13,19)(H,17,18)/t9-/m1/s1
InChIKeyLYEVGJJNBMUPHQ-SECBINFHSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125511
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001403
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
1-[2-(4-chloro-3-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122014927
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106420234
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
1-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015374
1-[2-(4-ethoxycarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122011316
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 106420517) is (3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is Cc1nc(CCNC(=O)N2CCC[C@@H](C(=O)O)C2)no1.
What is the InChIKey of (3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is LYEVGJJNBMUPHQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-8-14-10(15-20-8)4-5-13-12(19)16-6-2-3-9(7-16)11(17)18/h9H,2-7H2,1H3,(H,13,19)(H,17,18)/t9-/m1/s1.
What are the key properties of (3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 106420517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).