methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate

C15H23N3O3 — CID 115538473

IUPACmethyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2nccn(CC(C)C)c2=O)C1
InChIInChI=1S/C15H23N3O3/c1-11(2)9-18-8-6-16-13(14(18)19)17-7-4-5-12(10-17)15(20)21-3/h6,8,11-12H,4-5,7,9-10H2,1-3H3
InChIKeyMLEUYTTVKJXSFR-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.29
Rot. Bonds4

About methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate

methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate (PubChem CID 115538473) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate
PubChem CID115538473
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(c2nccn(CC(C)C)c2=O)C1
InChIInChI=1S/C15H23N3O3/c1-11(2)9-18-8-6-16-13(14(18)19)17-7-4-5-12(10-17)15(20)21-3/h6,8,11-12H,4-5,7,9-10H2,1-3H3
InChIKeyMLEUYTTVKJXSFR-UHFFFAOYSA-N
XLogP1.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate (CID 115538473) is methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate is COC(=O)C1CCCN(c2nccn(CC(C)C)c2=O)C1.
What is the InChIKey of methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate?
The InChIKey is MLEUYTTVKJXSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)9-18-8-6-16-13(14(18)19)17-7-4-5-12(10-17)15(20)21-3/h6,8,11-12H,4-5,7,9-10H2,1-3H3.
What are the key properties of methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate?
methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate is sourced from PubChem (CID 115538473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).