1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C23H23N3O3 — CID 20965147

IUPAC1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCn2cccc2C1Cc1ccccc1
InChIInChI=1S/C23H23N3O3/c27-23(24-18-8-9-21-22(16-18)29-14-13-28-21)26-12-11-25-10-4-7-19(25)20(26)15-17-5-2-1-3-6-17/h1-10,16,20H,11-15H2,(H,24,27)
InChIKeyPTQDFVWSEZRIFZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.09
Rot. Bonds3

About 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 20965147) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID20965147
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCn2cccc2C1Cc1ccccc1
InChIInChI=1S/C23H23N3O3/c27-23(24-18-8-9-21-22(16-18)29-14-13-28-21)26-12-11-25-10-4-7-19(25)20(26)15-17-5-2-1-3-6-17/h1-10,16,20H,11-15H2,(H,24,27)
InChIKeyPTQDFVWSEZRIFZ-UHFFFAOYSA-N
XLogP4.09
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965114
1-benzyl-N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965123
1-benzyl-N-(2-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965148
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 31320485
N-(1,3-benzodioxol-5-yl)-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580597
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-thiazolidine-3-carboxamide
CID 122329146
4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,4-diazepane-1-carboxamide
CID 127350004
(1R)-N-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546516
N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 43013017
2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 4824495
1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17462643
(1S)-N-(3,4-dichlorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387321

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 20965147) is 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)N1CCn2cccc2C1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is PTQDFVWSEZRIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-23(24-18-8-9-21-22(16-18)29-14-13-28-21)26-12-11-25-10-4-7-19(25)20(26)15-17-5-2-1-3-6-17/h1-10,16,20H,11-15H2,(H,24,27).
What are the key properties of 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 20965147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).