2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide

C11H20N4O3 — CID 76919330

IUPAC2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide
SMILESCCC(CC)(C(=O)N1CCNC(=O)C1)C(N)=NO
InChIInChI=1S/C11H20N4O3/c1-3-11(4-2,9(12)14-18)10(17)15-6-5-13-8(16)7-15/h18H,3-7H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyGVMVDIDPPKAHPB-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.50
Rot. Bonds4

About 2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide

2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide (PubChem CID 76919330) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide
PubChem CID76919330
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide
SMILESCCC(CC)(C(=O)N1CCNC(=O)C1)C(N)=NO
InChIInChI=1S/C11H20N4O3/c1-3-11(4-2,9(12)14-18)10(17)15-6-5-13-8(16)7-15/h18H,3-7H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyGVMVDIDPPKAHPB-UHFFFAOYSA-N
XLogP-0.50
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
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

(3Z)-3-amino-3-hydroxyimino-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 55030949
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 55037682
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 55037776
N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 55037866
2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxybutanimidamide
CID 55156330
3-(4,4-diethylpiperidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 55159114
2-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxybutanimidamide
CID 55215943
N'-hydroxy-2,2-dimethyl-3-(2-methyl-3-oxopiperazin-1-yl)-3-oxopropanimidamide
CID 55216133
N'-hydroxy-3-methyl-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide
CID 55216134
2-(2-ethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxypentanimidamide
CID 55216157
N-[2-(dimethylamino)ethyl]-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
CID 55228518
N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]butanamide
CID 61133131

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide (CID 76919330) is 2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide is CCC(CC)(C(=O)N1CCNC(=O)C1)C(N)=NO.
What is the InChIKey of 2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide?
The InChIKey is GVMVDIDPPKAHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-3-11(4-2,9(12)14-18)10(17)15-6-5-13-8(16)7-15/h18H,3-7H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of 2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide?
2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide has a molecular weight of 256.31 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-2-(3-oxopiperazine-1-carbonyl)butanimidamide is sourced from PubChem (CID 76919330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).