1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde

C16H23N3O2 — CID 155469916

IUPAC1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2CCC(C(=O)N3CCCCC3)CC2)c1
InChIInChI=1S/C16H23N3O2/c20-12-13-10-17-19(11-13)15-6-4-14(5-7-15)16(21)18-8-2-1-3-9-18/h10-12,14-15H,1-9H2
InChIKeySWSVFODOJCYNLD-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.44
Rot. Bonds3

About 1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde

1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde (PubChem CID 155469916) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde
PubChem CID155469916
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(C2CCC(C(=O)N3CCCCC3)CC2)c1
InChIInChI=1S/C16H23N3O2/c20-12-13-10-17-19(11-13)15-6-4-14(5-7-15)16(21)18-8-2-1-3-9-18/h10-12,14-15H,1-9H2
InChIKeySWSVFODOJCYNLD-UHFFFAOYSA-N
XLogP2.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde 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-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde?
The IUPAC name of 1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde (CID 155469916) is 1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde is O=Cc1cnn(C2CCC(C(=O)N3CCCCC3)CC2)c1.
What is the InChIKey of 1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde?
The InChIKey is SWSVFODOJCYNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-12-13-10-17-19(11-13)15-6-4-14(5-7-15)16(21)18-8-2-1-3-9-18/h10-12,14-15H,1-9H2.
What are the key properties of 1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde?
1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde has a molecular weight of 289.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidine-1-carbonyl)cyclohexyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 155469916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).