[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C21H30N4O — CID 24817215

IUPAC[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3cnn(C(C)C)c3)C2)cc1
InChIInChI=1S/C21H30N4O/c1-15(2)17-7-9-19(10-8-17)23-20-6-5-11-24(14-20)21(26)18-12-22-25(13-18)16(3)4/h7-10,12-13,15-16,20,23H,5-6,11,14H2,1-4H3
InChIKeyHHMZSPDFNQAUNA-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.30
Rot. Bonds5

About [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 24817215) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID24817215
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)c1ccc(NC2CCCN(C(=O)c3cnn(C(C)C)c3)C2)cc1
InChIInChI=1S/C21H30N4O/c1-15(2)17-7-9-19(10-8-17)23-20-6-5-11-24(14-20)21(26)18-12-22-25(13-18)16(3)4/h7-10,12-13,15-16,20,23H,5-6,11,14H2,1-4H3
InChIKeyHHMZSPDFNQAUNA-UHFFFAOYSA-N
XLogP4.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone 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 [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 24817215) is [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is CC(C)c1ccc(NC2CCCN(C(=O)c3cnn(C(C)C)c3)C2)cc1.
What is the InChIKey of [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is HHMZSPDFNQAUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-15(2)17-7-9-19(10-8-17)23-20-6-5-11-24(14-20)21(26)18-12-22-25(13-18)16(3)4/h7-10,12-13,15-16,20,23H,5-6,11,14H2,1-4H3.
What are the key properties of [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 354.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propan-2-ylanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 24817215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).