4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid

C15H26N4O3 — CID 136555598

IUPAC4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid
SMILESCc1noc(C(C)N2CCN(C(CC(C)C)C(=O)O)CC2)n1
InChIInChI=1S/C15H26N4O3/c1-10(2)9-13(15(20)21)19-7-5-18(6-8-19)11(3)14-16-12(4)17-22-14/h10-11,13H,5-9H2,1-4H3,(H,20,21)
InChIKeyPBTKBTOMPKVPGF-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.56
Rot. Bonds6

About 4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid

4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid (PubChem CID 136555598) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid
PubChem CID136555598
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid
SMILESCc1noc(C(C)N2CCN(C(CC(C)C)C(=O)O)CC2)n1
InChIInChI=1S/C15H26N4O3/c1-10(2)9-13(15(20)21)19-7-5-18(6-8-19)11(3)14-16-12(4)17-22-14/h10-11,13H,5-9H2,1-4H3,(H,20,21)
InChIKeyPBTKBTOMPKVPGF-UHFFFAOYSA-N
XLogP1.56
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid with MolForge

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Related Compounds

3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94161851
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95158999
(2S)-2-amino-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 119880632
[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94087324
4-(methylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 119880602
(2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95277625
2-methyl-5-[(1R)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95276720
2-methyl-5-[(1S)-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95276718
N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 95158985
2-(2-methoxyethylamino)-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 119880650
2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 42948005

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid?
The IUPAC name of 4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid (CID 136555598) is 4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid is Cc1noc(C(C)N2CCN(C(CC(C)C)C(=O)O)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid?
The InChIKey is PBTKBTOMPKVPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-10(2)9-13(15(20)21)19-7-5-18(6-8-19)11(3)14-16-12(4)17-22-14/h10-11,13H,5-9H2,1-4H3,(H,20,21).
What are the key properties of 4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid?
4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid has a molecular weight of 310.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentanoic acid is sourced from PubChem (CID 136555598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).