ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate

C14H26N2O2 — CID 79935337

IUPACethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate
SMILESCCOC(=O)CC(C)N1CCN2CCCCC2C1
InChIInChI=1S/C14H26N2O2/c1-3-18-14(17)10-12(2)16-9-8-15-7-5-4-6-13(15)11-16/h12-13H,3-11H2,1-2H3
InChIKeyIWCNYXWKKURDCX-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.50
Rot. Bonds4

About ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate

ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate (PubChem CID 79935337) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate
PubChem CID79935337
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate
SMILESCCOC(=O)CC(C)N1CCN2CCCCC2C1
InChIInChI=1S/C14H26N2O2/c1-3-18-14(17)10-12(2)16-9-8-15-7-5-4-6-13(15)11-16/h12-13H,3-11H2,1-2H3
InChIKeyIWCNYXWKKURDCX-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate with MolForge

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Related Compounds

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanethioamide
CID 79932274
methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 55159557
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N'-hydroxybutanimidamide
CID 79935274
ethyl 1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 62028790
ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 115538013
ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate
CID 102984888
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170702
ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate
CID 55063212
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butanoic acid
CID 63150586
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79916085
ethyl 3-(4-hydroxypiperidin-1-yl)butanoate
CID 56994099
methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate
CID 80552988

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate?
The IUPAC name of ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate (CID 79935337) is ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate.
What is the SMILES notation for ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate?
The canonical SMILES for ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate is CCOC(=O)CC(C)N1CCN2CCCCC2C1.
What is the InChIKey of ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate?
The InChIKey is IWCNYXWKKURDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-18-14(17)10-12(2)16-9-8-15-7-5-4-6-13(15)11-16/h12-13H,3-11H2,1-2H3.
What are the key properties of ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate?
ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate has a molecular weight of 254.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate is sourced from PubChem (CID 79935337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).