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

C13H20N4O4 — CID 106420234

IUPAC4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1nc(CCNC(=O)N2CCC(C)CC2C(=O)O)no1
InChIInChI=1S/C13H20N4O4/c1-8-4-6-17(10(7-8)12(18)19)13(20)14-5-3-11-15-9(2)21-16-11/h8,10H,3-7H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyJTTDGHFEWGFLCJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.82
Rot. Bonds4

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

4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 106420234) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID106420234
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1nc(CCNC(=O)N2CCC(C)CC2C(=O)O)no1
InChIInChI=1S/C13H20N4O4/c1-8-4-6-17(10(7-8)12(18)19)13(20)14-5-3-11-15-9(2)21-16-11/h8,10H,3-7H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyJTTDGHFEWGFLCJ-UHFFFAOYSA-N
XLogP0.82
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106404318
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
(3R)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106420517
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114184257
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363783
4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid
CID 114265002
1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425178
1-[(4-bromothiophen-2-yl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425618
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114
2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 136534776

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid (CID 106420234) is 4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid is Cc1nc(CCNC(=O)N2CCC(C)CC2C(=O)O)no1.
What is the InChIKey of 4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is JTTDGHFEWGFLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-8-4-6-17(10(7-8)12(18)19)13(20)14-5-3-11-15-9(2)21-16-11/h8,10H,3-7H2,1-2H3,(H,14,20)(H,18,19).
What are the key properties of 4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 0.82, 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-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 106420234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).