N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide

C18H30N6O2 — CID 119154604

IUPACN'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCCC1CCOCC1)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C18H30N6O2/c1-19-18(21-6-3-15-4-13-26-14-5-15)24-11-9-23(10-12-24)16-17(25)22(2)8-7-20-16/h7-8,15H,3-6,9-14H2,1-2H3,(H,19,21)
InChIKeyFNAYHHMFCNTFQL-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.29
Rot. Bonds4

About N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide

N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide (PubChem CID 119154604) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide
PubChem CID119154604
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC NameN'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCCC1CCOCC1)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C18H30N6O2/c1-19-18(21-6-3-15-4-13-26-14-5-15)24-11-9-23(10-12-24)16-17(25)22(2)8-7-20-16/h7-8,15H,3-6,9-14H2,1-2H3,(H,19,21)
InChIKeyFNAYHHMFCNTFQL-UHFFFAOYSA-N
XLogP0.29
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide (CID 119154604) is N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide is C/N=C(\NCCC1CCOCC1)N1CCN(c2nccn(C)c2=O)CC1.
What is the InChIKey of N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide?
The InChIKey is FNAYHHMFCNTFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-19-18(21-6-3-15-4-13-26-14-5-15)24-11-9-23(10-12-24)16-17(25)22(2)8-7-20-16/h7-8,15H,3-6,9-14H2,1-2H3,(H,19,21).
What are the key properties of N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide?
N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide has a molecular weight of 362.48 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 119154604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).