1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide

C14H26N4O2 — CID 80594285

IUPAC1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
SMILESCCC1CN(C(=O)C2(C(N)=NO)CC(C)C2)CCN1C
InChIInChI=1S/C14H26N4O2/c1-4-11-9-18(6-5-17(11)3)13(19)14(12(15)16-20)7-10(2)8-14/h10-11,20H,4-9H2,1-3H3,(H2,15,16)
InChIKeyQJTNSRXZQWXXJU-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.70
Rot. Bonds3

About 1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide

1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide (PubChem CID 80594285) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide.

Molecular Properties

Compound Name1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
PubChem CID80594285
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
SMILESCCC1CN(C(=O)C2(C(N)=NO)CC(C)C2)CCN1C
InChIInChI=1S/C14H26N4O2/c1-4-11-9-18(6-5-17(11)3)13(19)14(12(15)16-20)7-10(2)8-14/h10-11,20H,4-9H2,1-3H3,(H2,15,16)
InChIKeyQJTNSRXZQWXXJU-UHFFFAOYSA-N
XLogP0.70
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.70
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

1-(2,6-dimethylthiomorpholine-4-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
CID 80594372
1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
CID 80594059
1-(3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
CID 80594073
N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
N'-hydroxy-3-methyl-1-(2,3,5-trimethylpiperidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 104939794
1-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80596852
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide
CID 104871098
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
CID 78946636
N-(3-ethylpentan-3-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80594468
N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide
CID 80590837
1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594475
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one
CID 79023529

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide?
The IUPAC name of 1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide (CID 80594285) is 1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide.
What is the SMILES notation for 1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide?
The canonical SMILES for 1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide is CCC1CN(C(=O)C2(C(N)=NO)CC(C)C2)CCN1C.
What is the InChIKey of 1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide?
The InChIKey is QJTNSRXZQWXXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-11-9-18(6-5-17(11)3)13(19)14(12(15)16-20)7-10(2)8-14/h10-11,20H,4-9H2,1-3H3,(H2,15,16).
What are the key properties of 1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide?
1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide has a molecular weight of 282.39 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methylpiperazine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide is sourced from PubChem (CID 80594285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).