1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide

C13H22N4O3 — CID 77000548

IUPAC1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC1(C)C(=O)NCCN1C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C13H22N4O3/c1-12(2)10(18)15-7-8-17(12)11(19)13(9(14)16-20)5-3-4-6-13/h20H,3-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyYDQXHPOQXLRRDE-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.03
Rot. Bonds2

About 1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide

1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 77000548) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID77000548
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
SMILESCC1(C)C(=O)NCCN1C(=O)C1(C(N)=NO)CCCC1
InChIInChI=1S/C13H22N4O3/c1-12(2)10(18)15-7-8-17(12)11(19)13(9(14)16-20)5-3-4-6-13/h20H,3-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyYDQXHPOQXLRRDE-UHFFFAOYSA-N
XLogP0.03
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.03
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide (CID 77000548) is 1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide is CC1(C)C(=O)NCCN1C(=O)C1(C(N)=NO)CCCC1.
What is the InChIKey of 1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is YDQXHPOQXLRRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-12(2)10(18)15-7-8-17(12)11(19)13(9(14)16-20)5-3-4-6-13/h20H,3-8H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide?
1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 282.34 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 77000548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).