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

C26H39N5O3 — CID 10790507

IUPACN-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(N2CCN(CCCCN3CC(=O)N4CCCCC4C3=O)CC2)c1
InChIInChI=1S/C26H39N5O3/c1-20(2)25(33)27-21-8-7-9-22(18-21)29-16-14-28(15-17-29)11-5-6-12-30-19-24(32)31-13-4-3-10-23(31)26(30)34/h7-9,18,20,23H,3-6,10-17,19H2,1-2H3,(H,27,33)
InChIKeyXJSOIXCGCRDOFR-UHFFFAOYSA-N
MW469.63 g/mol
LogP2.41
Rot. Bonds8

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

N-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide (PubChem CID 10790507) has the molecular formula C26H39N5O3 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide
PubChem CID10790507
Molecular FormulaC26H39N5O3
Molecular Weight469.63 g/mol
Exact Mass469.31
IUPAC NameN-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(N2CCN(CCCCN3CC(=O)N4CCCCC4C3=O)CC2)c1
InChIInChI=1S/C26H39N5O3/c1-20(2)25(33)27-21-8-7-9-22(18-21)29-16-14-28(15-17-29)11-5-6-12-30-19-24(32)31-13-4-3-10-23(31)26(30)34/h7-9,18,20,23H,3-6,10-17,19H2,1-2H3,(H,27,33)
InChIKeyXJSOIXCGCRDOFR-UHFFFAOYSA-N
XLogP2.41
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide 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 N-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide (CID 10790507) is N-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(N2CCN(CCCCN3CC(=O)N4CCCCC4C3=O)CC2)c1.
What is the InChIKey of N-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide?
The InChIKey is XJSOIXCGCRDOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O3/c1-20(2)25(33)27-21-8-7-9-22(18-21)29-16-14-28(15-17-29)11-5-6-12-30-19-24(32)31-13-4-3-10-23(31)26(30)34/h7-9,18,20,23H,3-6,10-17,19H2,1-2H3,(H,27,33).
What are the key properties of N-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide?
N-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide has a molecular weight of 469.63 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 10790507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).