methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate

C15H24N4O2 — CID 66457281

IUPACmethyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCCN2CCCCC2C)n1
InChIInChI=1S/C15H24N4O2/c1-12-6-3-4-8-19(12)9-5-7-17-14-11-16-10-13(18-14)15(20)21-2/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyFUDZHPUIPLRXPJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.94
Rot. Bonds6

About methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate

methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate (PubChem CID 66457281) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate
PubChem CID66457281
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Namemethyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCCCN2CCCCC2C)n1
InChIInChI=1S/C15H24N4O2/c1-12-6-3-4-8-19(12)9-5-7-17-14-11-16-10-13(18-14)15(20)21-2/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyFUDZHPUIPLRXPJ-UHFFFAOYSA-N
XLogP1.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 66457311
5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 106549461
6-methoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261071
methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate
CID 66455933
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732
2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid
CID 107553233
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894
3-N-methyl-5-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3,5-diamine
CID 104532661
6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid
CID 66452088
6-[3-(4-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxamide
CID 133358716
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261070

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate (CID 66457281) is methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(NCCCN2CCCCC2C)n1.
What is the InChIKey of methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate?
The InChIKey is FUDZHPUIPLRXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-6-3-4-8-19(12)9-5-7-17-14-11-16-10-13(18-14)15(20)21-2/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate?
methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 66457281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).