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

C13H24N4O — CID 63606427

IUPACN'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide
SMILESCC1(C)C(=O)NCCN1/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H24N4O/c1-13(2)11(18)15-8-9-17(13)12(14)16-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyKABVDCQMOJLUFY-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.84
Rot. Bonds1

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

N'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide (PubChem CID 63606427) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide
PubChem CID63606427
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide
SMILESCC1(C)C(=O)NCCN1/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H24N4O/c1-13(2)11(18)15-8-9-17(13)12(14)16-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyKABVDCQMOJLUFY-UHFFFAOYSA-N
XLogP0.84
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.84
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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Related Compounds

N-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
CID 53017590
(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)-methylamino]-N-methylpropanamide
CID 135035821
N-cyclohexyl-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 109377606
N-cyclohexyl-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109377607
2-[[N-(1-cyclohexylpiperidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112054278
(2R)-2-amino-N-tert-butyl-N-methyl-5-[(N'-methylcarbamimidoyl)amino]pentanamide
CID 53915325
(3S)-N'-methyl-3-(methylamino)-2-oxopiperidine-1-carboximidamide
CID 58846514
N'-cyclohexyl-3-oxopiperazine-1-carboximidamide
CID 62361386
N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide
CID 126733573
1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]-2-methylguanidine
CID 143219836
2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-1-piperidin-1-ylethanone
CID 164529429
2-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]amino]-N,N-diethylacetamide
CID 164529462

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide (CID 63606427) is N'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide is CC1(C)C(=O)NCCN1/C(N)=N/C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is KABVDCQMOJLUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2)11(18)15-8-9-17(13)12(14)16-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of N'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide?
N'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 252.36 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 63606427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).