ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate

C20H35N3O3 — CID 168974968

IUPACethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate
SMILESCC.CCOC(=O)C1CCN(c2cnc(C)c(CCCCOC)n2)CC1
InChIInChI=1S/C18H29N3O3.C2H6/c1-4-24-18(22)15-8-10-21(11-9-15)17-13-19-14(2)16(20-17)7-5-6-12-23-3;1-2/h13,15H,4-12H2,1-3H3;1-2H3
InChIKeyLETKVTOVWQOBKM-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.56
Rot. Bonds8

About ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate

ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate (PubChem CID 168974968) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate
PubChem CID168974968
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Nameethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate
SMILESCC.CCOC(=O)C1CCN(c2cnc(C)c(CCCCOC)n2)CC1
InChIInChI=1S/C18H29N3O3.C2H6/c1-4-24-18(22)15-8-10-21(11-9-15)17-13-19-14(2)16(20-17)7-5-6-12-23-3;1-2/h13,15H,4-12H2,1-3H3;1-2H3
InChIKeyLETKVTOVWQOBKM-UHFFFAOYSA-N
XLogP3.56
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate
CID 168974985
ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974910
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 1-[5-iodo-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168975164
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
CID 62131854
ethyl 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylate
CID 115372977

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate (CID 168974968) is ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate is CC.CCOC(=O)C1CCN(c2cnc(C)c(CCCCOC)n2)CC1.
What is the InChIKey of ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate?
The InChIKey is LETKVTOVWQOBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3.C2H6/c1-4-24-18(22)15-8-10-21(11-9-15)17-13-19-14(2)16(20-17)7-5-6-12-23-3;1-2/h13,15H,4-12H2,1-3H3;1-2H3.
What are the key properties of ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate?
ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate has a molecular weight of 365.52 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 168974968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).