2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide

C25H37N5O3 — CID 10813647

IUPAC2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1
InChIInChI=1S/C25H37N5O3/c1-2-11-26-24(32)20-8-3-4-9-21(20)28-17-15-27(16-18-28)12-7-13-29-19-23(31)30-14-6-5-10-22(30)25(29)33/h3-4,8-9,22H,2,5-7,10-19H2,1H3,(H,26,32)
InChIKeyGSKGCFDOBWFZBI-UHFFFAOYSA-N
MW455.60 g/mol
LogP1.56
Rot. Bonds8

About 2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide

2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide (PubChem CID 10813647) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is 2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide.

Molecular Properties

Compound Name2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide
PubChem CID10813647
Molecular FormulaC25H37N5O3
Molecular Weight455.60 g/mol
Exact Mass455.29
IUPAC Name2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1
InChIInChI=1S/C25H37N5O3/c1-2-11-26-24(32)20-8-3-4-9-21(20)28-17-15-27(16-18-28)12-7-13-29-19-23(31)30-14-6-5-10-22(30)25(29)33/h3-4,8-9,22H,2,5-7,10-19H2,1H3,(H,26,32)
InChIKeyGSKGCFDOBWFZBI-UHFFFAOYSA-N
XLogP1.56
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide?
The IUPAC name of 2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide (CID 10813647) is 2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide.
What is the SMILES notation for 2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide?
The canonical SMILES for 2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide is CCCNC(=O)c1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1.
What is the InChIKey of 2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide?
The InChIKey is GSKGCFDOBWFZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3/c1-2-11-26-24(32)20-8-3-4-9-21(20)28-17-15-27(16-18-28)12-7-13-29-19-23(31)30-14-6-5-10-22(30)25(29)33/h3-4,8-9,22H,2,5-7,10-19H2,1H3,(H,26,32).
What are the key properties of 2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide?
2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide has a molecular weight of 455.60 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide is sourced from PubChem (CID 10813647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).