2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C24H34N4O2 — CID 46960332

IUPAC2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESC[C@H]1CN2CCCC2CN1Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12
InChIInChI=1S/C24H34N4O2/c1-18-13-26-10-4-6-20(26)16-27(18)14-19-15-28(23-9-3-2-8-22(19)23)17-24(29)25-12-21-7-5-11-30-21/h2-3,8-9,15,18,20-21H,4-7,10-14,16-17H2,1H3,(H,25,29)/t18-,20?,21?/m0/s1
InChIKeyZTQDARNKWLARFX-PELRDEGISA-N
MW410.56 g/mol
LogP2.61
Rot. Bonds6

About 2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 46960332) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID46960332
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESC[C@H]1CN2CCCC2CN1Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12
InChIInChI=1S/C24H34N4O2/c1-18-13-26-10-4-6-20(26)16-27(18)14-19-15-28(23-9-3-2-8-22(19)23)17-24(29)25-12-21-7-5-11-30-21/h2-3,8-9,15,18,20-21H,4-7,10-14,16-17H2,1H3,(H,25,29)/t18-,20?,21?/m0/s1
InChIKeyZTQDARNKWLARFX-PELRDEGISA-N
XLogP2.61
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[3-[[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 92603831
2-[3-[[(3R)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-1-morpholin-4-ylethanone
CID 110211306
2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2912319
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]acetamide
CID 97465954
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18564611
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26745583
2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 51872377
N-(oxolan-2-ylmethyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
CID 4212528
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16935785
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39719201

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 46960332) is 2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is C[C@H]1CN2CCCC2CN1Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12.
What is the InChIKey of 2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ZTQDARNKWLARFX-PELRDEGISA-N. The full InChI is InChI=1S/C24H34N4O2/c1-18-13-26-10-4-6-20(26)16-27(18)14-19-15-28(23-9-3-2-8-22(19)23)17-24(29)25-12-21-7-5-11-30-21/h2-3,8-9,15,18,20-21H,4-7,10-14,16-17H2,1H3,(H,25,29)/t18-,20?,21?/m0/s1.
What are the key properties of 2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 410.56 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3S)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 46960332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).