N'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide

C14H26N4O2 — CID 111301255

IUPACN'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide
SMILESCCCN/C(=N\C)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H26N4O2/c1-3-6-16-14(15-2)18-9-7-17(8-10-18)13(19)12-5-4-11-20-12/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyHAUSJEWJVVWKHK-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.29
Rot. Bonds3

About N'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide

N'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide (PubChem CID 111301255) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide
PubChem CID111301255
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide
SMILESCCCN/C(=N\C)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H26N4O2/c1-3-6-16-14(15-2)18-9-7-17(8-10-18)13(19)12-5-4-11-20-12/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyHAUSJEWJVVWKHK-UHFFFAOYSA-N
XLogP0.29
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,2-dimethyl-N-[2-[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide
CID 111302233
N-(3,3-dimethylbutyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111300975
N-(3,3-dimethylbutyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300974
N'-methyl-N-(2-methylsulfonylethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301589
N-methyl-3-[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]propanamide
CID 119131848
N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302541
N-[2-(ethylsulfonylamino)ethyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300796
N'-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 119131930
tert-butyl N-[2-[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111302942
3-[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111301028
N-cyclopropyl-4-[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]butanamide
CID 111300911
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111300551

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide?
The IUPAC name of N'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide (CID 111301255) is N'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide is CCCN/C(=N\C)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide?
The InChIKey is HAUSJEWJVVWKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-6-16-14(15-2)18-9-7-17(8-10-18)13(19)12-5-4-11-20-12/h12H,3-11H2,1-2H3,(H,15,16).
What are the key properties of N'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide?
N'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide has a molecular weight of 282.39 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(oxolane-2-carbonyl)-N-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 111301255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).