N-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide

C21H34N6O — CID 119162954

IUPACN-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
SMILESCC/N=C(/NC1CC1C1CCCCC1)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C21H34N6O/c1-3-22-21(24-18-15-17(18)16-7-5-4-6-8-16)27-13-11-26(12-14-27)19-20(28)25(2)10-9-23-19/h9-10,16-18H,3-8,11-15H2,1-2H3,(H,22,24)
InChIKeyOXVYXNKVDKBKEE-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.84
Rot. Bonds4

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

N-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide (PubChem CID 119162954) has the molecular formula C21H34N6O and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
PubChem CID119162954
Molecular FormulaC21H34N6O
Molecular Weight386.54 g/mol
Exact Mass386.28
IUPAC NameN-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
SMILESCC/N=C(/NC1CC1C1CCCCC1)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C21H34N6O/c1-3-22-21(24-18-15-17(18)16-7-5-4-6-8-16)27-13-11-26(12-14-27)19-20(28)25(2)10-9-23-19/h9-10,16-18H,3-8,11-15H2,1-2H3,(H,22,24)
InChIKeyOXVYXNKVDKBKEE-UHFFFAOYSA-N
XLogP1.84
TPSA65.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[(1-ethylpiperidin-2-yl)methyl]-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119159157
N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119155719
N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119160085
N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)-N-[2-(oxan-4-yl)ethyl]piperazine-1-carboximidamide
CID 119154604
N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
CID 119159184
N-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide
CID 119154520
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119163093
N-ethyl-N'-(2-hydroxy-2-phenylethyl)-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119153176
1-methyl-3-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazin-2-one
CID 119891429
N-[(2,5-difluorophenyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119154608
N-[2-(4-hydroxyphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 119154511
N-[[3-(hydroxymethyl)phenyl]methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
CID 119159078

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide (CID 119162954) is N-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide is CC/N=C(/NC1CC1C1CCCCC1)N1CCN(c2nccn(C)c2=O)CC1.
What is the InChIKey of N-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide?
The InChIKey is OXVYXNKVDKBKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O/c1-3-22-21(24-18-15-17(18)16-7-5-4-6-8-16)27-13-11-26(12-14-27)19-20(28)25(2)10-9-23-19/h9-10,16-18H,3-8,11-15H2,1-2H3,(H,22,24).
What are the key properties of N-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide?
N-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide has a molecular weight of 386.54 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylcyclopropyl)-N'-ethyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 119162954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).