1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide

C12H22N4O — CID 79162804

IUPAC1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)C1CCCN1C(=O)N1CCC(C)CC1
InChIInChI=1S/C12H22N4O/c1-9-4-7-15(8-5-9)12(17)16-6-2-3-10(16)11(13)14/h9-10H,2-8H2,1H3,(H3,13,14)
InChIKeyUFAVWNLHZPYKRC-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.24
Rot. Bonds1

About 1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide

1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide (PubChem CID 79162804) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide
PubChem CID79162804
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)C1CCCN1C(=O)N1CCC(C)CC1
InChIInChI=1S/C12H22N4O/c1-9-4-7-15(8-5-9)12(17)16-6-2-3-10(16)11(13)14/h9-10H,2-8H2,1H3,(H3,13,14)
InChIKeyUFAVWNLHZPYKRC-UHFFFAOYSA-N
XLogP1.24
TPSA73.42 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 ≤ 51.24
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'}

Analyze 1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide?
The IUPAC name of 1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide (CID 79162804) is 1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide?
The canonical SMILES for 1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide is [H]/N=C(\N)C1CCCN1C(=O)N1CCC(C)CC1.
What is the InChIKey of 1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide?
The InChIKey is UFAVWNLHZPYKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-4-7-15(8-5-9)12(17)16-6-2-3-10(16)11(13)14/h9-10H,2-8H2,1H3,(H3,13,14).
What are the key properties of 1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide?
1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide has a molecular weight of 238.33 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboximidamide is sourced from PubChem (CID 79162804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).