propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate

C24H34N4O4 — CID 10670866

IUPACpropyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate
SMILESCCCOC(=O)c1ccccc1N1CCN(CCCN2CC(=O)N3CCCC3C2=O)CC1
InChIInChI=1S/C24H34N4O4/c1-2-17-32-24(31)19-7-3-4-8-20(19)26-15-13-25(14-16-26)10-6-11-27-18-22(29)28-12-5-9-21(28)23(27)30/h3-4,7-8,21H,2,5-6,9-18H2,1H3
InChIKeyHJZFENSTBGTUCJ-UHFFFAOYSA-N
MW442.56 g/mol
LogP1.60
Rot. Bonds8

About propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate

propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate (PubChem CID 10670866) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Namepropyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate
PubChem CID10670866
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Namepropyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate
SMILESCCCOC(=O)c1ccccc1N1CCN(CCCN2CC(=O)N3CCCC3C2=O)CC1
InChIInChI=1S/C24H34N4O4/c1-2-17-32-24(31)19-7-3-4-8-20(19)26-15-13-25(14-16-26)10-6-11-27-18-22(29)28-12-5-9-21(28)23(27)30/h3-4,7-8,21H,2,5-6,9-18H2,1H3
InChIKeyHJZFENSTBGTUCJ-UHFFFAOYSA-N
XLogP1.60
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate?
The IUPAC name of propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate (CID 10670866) is propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate.
What is the SMILES notation for propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate?
The canonical SMILES for propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate is CCCOC(=O)c1ccccc1N1CCN(CCCN2CC(=O)N3CCCC3C2=O)CC1.
What is the InChIKey of propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate?
The InChIKey is HJZFENSTBGTUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-2-17-32-24(31)19-7-3-4-8-20(19)26-15-13-25(14-16-26)10-6-11-27-18-22(29)28-12-5-9-21(28)23(27)30/h3-4,7-8,21H,2,5-6,9-18H2,1H3.
What are the key properties of propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate?
propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate has a molecular weight of 442.56 g/mol, XLogP of 1.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 10670866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).