N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide

C25H45N9O3 — CID 123923641

IUPACN,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C)CCN1CCN1CCN2C(CN3CCN4CCN(C)C(=O)C4C3)CNC(=O)C2C1
InChIInChI=1S/C25H45N9O3/c1-26-23(35)20-16-28(2)4-9-32(20)11-6-30-8-13-34-19(14-27-24(36)21(34)17-30)15-31-7-12-33-10-5-29(3)25(37)22(33)18-31/h19-22H,4-18H2,1-3H3,(H,26,35)(H,27,36)
InChIKeyYLNWVRMHRHRSHE-UHFFFAOYSA-N
MW519.70 g/mol
LogP-3.71
Rot. Bonds6

About N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide

N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide (PubChem CID 123923641) has the molecular formula C25H45N9O3 and a molecular weight of 519.70 g/mol. Its IUPAC name is N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide
PubChem CID123923641
Molecular FormulaC25H45N9O3
Molecular Weight519.70 g/mol
Exact Mass519.36
IUPAC NameN,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C)CCN1CCN1CCN2C(CN3CCN4CCN(C)C(=O)C4C3)CNC(=O)C2C1
InChIInChI=1S/C25H45N9O3/c1-26-23(35)20-16-28(2)4-9-32(20)11-6-30-8-13-34-19(14-27-24(36)21(34)17-30)15-31-7-12-33-10-5-29(3)25(37)22(33)18-31/h19-22H,4-18H2,1-3H3,(H,26,35)(H,27,36)
InChIKeyYLNWVRMHRHRSHE-UHFFFAOYSA-N
XLogP-3.71
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.70
LogP ≤ 5-3.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N,4-dimethyl-1-[2-(9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethyl]piperazine-2-carboxamide
CID 123919789
2,8-dimethyl-3,4,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-1-one;2-methyl-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 144463989
(2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;2-ethyl-4-methyl-1-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 158792794
2-[3-(6,7-Dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)butyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
CID 127615368

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide?
The IUPAC name of N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide (CID 123923641) is N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide.
What is the SMILES notation for N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide?
The canonical SMILES for N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide is CNC(=O)C1CN(C)CCN1CCN1CCN2C(CN3CCN4CCN(C)C(=O)C4C3)CNC(=O)C2C1.
What is the InChIKey of N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide?
The InChIKey is YLNWVRMHRHRSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N9O3/c1-26-23(35)20-16-28(2)4-9-32(20)11-6-30-8-13-34-19(14-27-24(36)21(34)17-30)15-31-7-12-33-10-5-29(3)25(37)22(33)18-31/h19-22H,4-18H2,1-3H3,(H,26,35)(H,27,36).
What are the key properties of N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide?
N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide has a molecular weight of 519.70 g/mol, XLogP of -3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-[2-[6-[(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 123923641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).