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

C15H20FN3O — CID 22194026

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCN2CCCC2C1)Nc1ccccc1F
InChIInChI=1S/C15H20FN3O/c16-13-5-1-2-6-14(13)17-15(20)11-18-8-9-19-7-3-4-12(19)10-18/h1-2,5-6,12H,3-4,7-11H2,(H,17,20)
InChIKeyZHSBWBDXWLRCGI-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.54
Rot. Bonds3

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

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 22194026) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
PubChem CID22194026
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCN2CCCC2C1)Nc1ccccc1F
InChIInChI=1S/C15H20FN3O/c16-13-5-1-2-6-14(13)17-15(20)11-18-8-9-19-7-3-4-12(19)10-18/h1-2,5-6,12H,3-4,7-11H2,(H,17,20)
InChIKeyZHSBWBDXWLRCGI-UHFFFAOYSA-N
XLogP1.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 22194042
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-fluorophenyl)ethanone
CID 79943016
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 17276248
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386
2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119917633
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959463
N-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648320
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 114876510
N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 166601926

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-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide (CID 22194026) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide is O=C(CN1CCN2CCCC2C1)Nc1ccccc1F.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is ZHSBWBDXWLRCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-13-5-1-2-6-14(13)17-15(20)11-18-8-9-19-7-3-4-12(19)10-18/h1-2,5-6,12H,3-4,7-11H2,(H,17,20).
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 277.34 g/mol, XLogP of 1.54, 3 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-(2-fluorophenyl)acetamide is sourced from PubChem (CID 22194026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).