N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide

C15H28N4O2 — CID 104937510

IUPACN'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide
SMILESCC1CN(C(=O)C2(C(N)=NO)CCCCC2)CC(C)N1C
InChIInChI=1S/C15H28N4O2/c1-11-9-19(10-12(2)18(11)3)14(20)15(13(16)17-21)7-5-4-6-8-15/h11-12,21H,4-10H2,1-3H3,(H2,16,17)
InChIKeyQNCMFEDJHYAQRI-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.23
Rot. Bonds2

About N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide

N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide (PubChem CID 104937510) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide
PubChem CID104937510
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC NameN'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide
SMILESCC1CN(C(=O)C2(C(N)=NO)CCCCC2)CC(C)N1C
InChIInChI=1S/C15H28N4O2/c1-11-9-19(10-12(2)18(11)3)14(20)15(13(16)17-21)7-5-4-6-8-15/h11-12,21H,4-10H2,1-3H3,(H2,16,17)
InChIKeyQNCMFEDJHYAQRI-UHFFFAOYSA-N
XLogP1.23
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
1-(2,6-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77020584
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 114536931
1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594475
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide
CID 104871302
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712
N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide
CID 77024798
N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 103536725
N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 103942925

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide (CID 104937510) is N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide is CC1CN(C(=O)C2(C(N)=NO)CCCCC2)CC(C)N1C.
What is the InChIKey of N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide?
The InChIKey is QNCMFEDJHYAQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11-9-19(10-12(2)18(11)3)14(20)15(13(16)17-21)7-5-4-6-8-15/h11-12,21H,4-10H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide?
N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide has a molecular weight of 296.42 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide is sourced from PubChem (CID 104937510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).