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

C16H23N3O2 — CID 22194042

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN2CCCC2C1
InChIInChI=1S/C16H23N3O2/c1-21-15-7-3-2-6-14(15)17-16(20)12-18-9-10-19-8-4-5-13(19)11-18/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,17,20)
InChIKeyKSXIDPLTYASKHK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.41
Rot. Bonds4

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

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide (PubChem CID 22194042) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide
PubChem CID22194042
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN2CCCC2C1
InChIInChI=1S/C16H23N3O2/c1-21-15-7-3-2-6-14(15)17-16(20)12-18-9-10-19-8-4-5-13(19)11-18/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,17,20)
InChIKeyKSXIDPLTYASKHK-UHFFFAOYSA-N
XLogP1.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43186953
N-(2-methoxyphenyl)-2-[(3S)-3-methoxypiperidin-1-yl]acetamide
CID 124505947
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride
CID 119915836
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921
N-(2-methoxyphenyl)-2-[3-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 166601980
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 86913235
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
CID 171998883
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541
N-cyclopropyl-1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 166601973

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-methoxyphenyl)acetamide?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide (CID 22194042) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)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-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1CCN2CCCC2C1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide?
The InChIKey is KSXIDPLTYASKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-15-7-3-2-6-14(15)17-16(20)12-18-9-10-19-8-4-5-13(19)11-18/h2-3,6-7,13H,4-5,8-12H2,1H3,(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-methoxyphenyl)acetamide?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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-methoxyphenyl)acetamide is sourced from PubChem (CID 22194042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).