2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide

C17H31N3O — CID 67074417

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide
SMILESCC(NC(=O)CN1CCN2CCCC2C1)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-14(15-6-3-2-4-7-15)18-17(21)13-19-10-11-20-9-5-8-16(20)12-19/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyOLBFTCXQLFXEBS-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.85
Rot. Bonds4

About 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide (PubChem CID 67074417) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide
PubChem CID67074417
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide
SMILESCC(NC(=O)CN1CCN2CCCC2C1)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-14(15-6-3-2-4-7-15)18-17(21)13-19-10-11-20-9-5-8-16(20)12-19/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyOLBFTCXQLFXEBS-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide (CID 67074417) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide is CC(NC(=O)CN1CCN2CCCC2C1)C1CCCCC1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide?
The InChIKey is OLBFTCXQLFXEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14(15-6-3-2-4-7-15)18-17(21)13-19-10-11-20-9-5-8-16(20)12-19/h14-16H,2-13H2,1H3,(H,18,21).
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide has a molecular weight of 293.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1-cyclohexylethyl)acetamide is sourced from PubChem (CID 67074417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).