2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide

C13H25N5O2 — CID 79152526

IUPAC2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)(C)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H25N5O2/c1-13(2,11(14)15)18-5-3-16(4-6-18)12(19)17-7-9-20-10-8-17/h3-10H2,1-2H3,(H3,14,15)
InChIKeyLIOOKWNGQPLPTB-UHFFFAOYSA-N
MW283.38 g/mol
LogP-0.23
Rot. Bonds2

About 2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide

2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide (PubChem CID 79152526) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound Name2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide
PubChem CID79152526
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)(C)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H25N5O2/c1-13(2,11(14)15)18-5-3-16(4-6-18)12(19)17-7-9-20-10-8-17/h3-10H2,1-2H3,(H3,14,15)
InChIKeyLIOOKWNGQPLPTB-UHFFFAOYSA-N
XLogP-0.23
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(azepane-1-carbonyl)piperazin-1-yl]-2-methylpropanimidamide
CID 79157879
4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 90909249
1-[4-(1,4-oxazepane-4-carbonyl)piperazin-1-yl]ethanone
CID 154703363
2-imino-1-morpholin-4-ylpropan-1-one
CID 171555876
1-(morpholine-4-carbonyl)azetidine-3-carboxamide
CID 158069927
ethane;2-imino-1-morpholin-4-ylpropan-1-one
CID 171555875
bis(morpholine-4-carboximidamide);sulfate
CID 73010846
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
1,3-dimorpholin-4-ylpropane-1,3-diimine
CID 123506612
2-methyl-2-morpholin-4-ylpropanoyl iodide
CID 155067930
2-methyl-2-morpholin-4-ylpropanoate
CID 25219445
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide?
The IUPAC name of 2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide (CID 79152526) is 2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for 2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for 2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide is [H]/N=C(\N)C(C)(C)N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide?
The InChIKey is LIOOKWNGQPLPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-13(2,11(14)15)18-5-3-16(4-6-18)12(19)17-7-9-20-10-8-17/h3-10H2,1-2H3,(H3,14,15).
What are the key properties of 2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide?
2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide has a molecular weight of 283.38 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 79152526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).