4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine

C20H28N4 — CID 45245513

IUPAC4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine
SMILESCN1CCC(C2CCN(Cc3cccc(-n4cccn4)c3)CC2)C1
InChIInChI=1S/C20H28N4/c1-22-11-6-19(16-22)18-7-12-23(13-8-18)15-17-4-2-5-20(14-17)24-10-3-9-21-24/h2-5,9-10,14,18-19H,6-8,11-13,15-16H2,1H3
InChIKeyIUOJRXRAUIQUIK-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.04
Rot. Bonds4

About 4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine

4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine (PubChem CID 45245513) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine
PubChem CID45245513
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine
SMILESCN1CCC(C2CCN(Cc3cccc(-n4cccn4)c3)CC2)C1
InChIInChI=1S/C20H28N4/c1-22-11-6-19(16-22)18-7-12-23(13-8-18)15-17-4-2-5-20(14-17)24-10-3-9-21-24/h2-5,9-10,14,18-19H,6-8,11-13,15-16H2,1H3
InChIKeyIUOJRXRAUIQUIK-UHFFFAOYSA-N
XLogP3.04
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine 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 4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine?
The IUPAC name of 4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine (CID 45245513) is 4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine.
What is the SMILES notation for 4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine?
The canonical SMILES for 4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine is CN1CCC(C2CCN(Cc3cccc(-n4cccn4)c3)CC2)C1.
What is the InChIKey of 4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine?
The InChIKey is IUOJRXRAUIQUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-22-11-6-19(16-22)18-7-12-23(13-8-18)15-17-4-2-5-20(14-17)24-10-3-9-21-24/h2-5,9-10,14,18-19H,6-8,11-13,15-16H2,1H3.
What are the key properties of 4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine?
4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine has a molecular weight of 324.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolidin-3-yl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine is sourced from PubChem (CID 45245513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).