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

C17H28N6O2 — CID 119155719

IUPACN-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCC1CCCC1O)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C17H28N6O2/c1-18-17(20-12-13-4-3-5-14(13)24)23-10-8-22(9-11-23)15-16(25)21(2)7-6-19-15/h6-7,13-14,24H,3-5,8-12H2,1-2H3,(H,18,20)
InChIKeyZZPAEJDQWBTYKK-UHFFFAOYSA-N
MW348.45 g/mol
LogP-0.36
Rot. Bonds3

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

N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide (PubChem CID 119155719) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
PubChem CID119155719
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCC1CCCC1O)N1CCN(c2nccn(C)c2=O)CC1
InChIInChI=1S/C17H28N6O2/c1-18-17(20-12-13-4-3-5-14(13)24)23-10-8-22(9-11-23)15-16(25)21(2)7-6-19-15/h6-7,13-14,24H,3-5,8-12H2,1-2H3,(H,18,20)
InChIKeyZZPAEJDQWBTYKK-UHFFFAOYSA-N
XLogP-0.36
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
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-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide (CID 119155719) is N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide is C/N=C(\NCC1CCCC1O)N1CCN(c2nccn(C)c2=O)CC1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide?
The InChIKey is ZZPAEJDQWBTYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-18-17(20-12-13-4-3-5-14(13)24)23-10-8-22(9-11-23)15-16(25)21(2)7-6-19-15/h6-7,13-14,24H,3-5,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide?
N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide has a molecular weight of 348.45 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 119155719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).