4-(piperidine-4-carbonyl)piperazine-1-carboximidamide

C11H21N5O — CID 130388724

IUPAC4-(piperidine-4-carbonyl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C11H21N5O/c12-11(13)16-7-5-15(6-8-16)10(17)9-1-3-14-4-2-9/h9,14H,1-8H2,(H3,12,13)
InChIKeyIJSRJYLKOKUBPJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.98
Rot. Bonds1

About 4-(piperidine-4-carbonyl)piperazine-1-carboximidamide

4-(piperidine-4-carbonyl)piperazine-1-carboximidamide (PubChem CID 130388724) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(piperidine-4-carbonyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(piperidine-4-carbonyl)piperazine-1-carboximidamide
PubChem CID130388724
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name4-(piperidine-4-carbonyl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C11H21N5O/c12-11(13)16-7-5-15(6-8-16)10(17)9-1-3-14-4-2-9/h9,14H,1-8H2,(H3,12,13)
InChIKeyIJSRJYLKOKUBPJ-UHFFFAOYSA-N
XLogP-0.98
TPSA85.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 4-(piperidine-4-carbonyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(piperidine-4-carbonyl)piperazine-1-carboximidamide (CID 130388724) is 4-(piperidine-4-carbonyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(piperidine-4-carbonyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(piperidine-4-carbonyl)piperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of 4-(piperidine-4-carbonyl)piperazine-1-carboximidamide?
The InChIKey is IJSRJYLKOKUBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c12-11(13)16-7-5-15(6-8-16)10(17)9-1-3-14-4-2-9/h9,14H,1-8H2,(H3,12,13).
What are the key properties of 4-(piperidine-4-carbonyl)piperazine-1-carboximidamide?
4-(piperidine-4-carbonyl)piperazine-1-carboximidamide has a molecular weight of 239.32 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidine-4-carbonyl)piperazine-1-carboximidamide is sourced from PubChem (CID 130388724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).