methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate

C15H22N4O4 — CID 91783670

IUPACmethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C15H22N4O4/c1-18(9-12-16-13(23-17-12)10-6-7-10)14(20)11-5-3-4-8-19(11)15(21)22-2/h10-11H,3-9H2,1-2H3
InChIKeyOGTAJKBOYDMDAK-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.53
Rot. Bonds4

About methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate

methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 91783670) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate
PubChem CID91783670
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Namemethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C15H22N4O4/c1-18(9-12-16-13(23-17-12)10-6-7-10)14(20)11-5-3-4-8-19(11)15(21)22-2/h10-11H,3-9H2,1-2H3
InChIKeyOGTAJKBOYDMDAK-UHFFFAOYSA-N
XLogP1.53
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate (CID 91783670) is methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate is COC(=O)N1CCCCC1C(=O)N(C)Cc1noc(C2CC2)n1.
What is the InChIKey of methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is OGTAJKBOYDMDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-18(9-12-16-13(23-17-12)10-6-7-10)14(20)11-5-3-4-8-19(11)15(21)22-2/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate?
methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 322.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 91783670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).