N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide

C12H22N4O — CID 55216131

IUPACN'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide
SMILESCC1(C)C(=O)NCCN1/C(N)=N/C1CCCC1
InChIInChI=1S/C12H22N4O/c1-12(2)10(17)14-7-8-16(12)11(13)15-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyJQBAWCKJHMUTAG-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.45
Rot. Bonds1

About N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide

N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide (PubChem CID 55216131) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide
PubChem CID55216131
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide
SMILESCC1(C)C(=O)NCCN1/C(N)=N/C1CCCC1
InChIInChI=1S/C12H22N4O/c1-12(2)10(17)14-7-8-16(12)11(13)15-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyJQBAWCKJHMUTAG-UHFFFAOYSA-N
XLogP0.45
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide (CID 55216131) is N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide is CC1(C)C(=O)NCCN1/C(N)=N/C1CCCC1.
What is the InChIKey of N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is JQBAWCKJHMUTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2)10(17)14-7-8-16(12)11(13)15-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide?
N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 238.33 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 55216131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).