2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride

C19H35Cl2N5O — CID 154904644

IUPAC2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCC1(C)CC(NC(=O)Cn2ccc(C3CCCNC3)n2)CC(C)(C)N1.Cl.Cl
InChIInChI=1S/C19H33N5O.2ClH/c1-18(2)10-15(11-19(3,4)23-18)21-17(25)13-24-9-7-16(22-24)14-6-5-8-20-12-14;;/h7,9,14-15,20,23H,5-6,8,10-13H2,1-4H3,(H,21,25);2*1H
InChIKeyXDLWXHFZEDNQHY-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.62
Rot. Bonds4

About 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride

2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride (PubChem CID 154904644) has the molecular formula C19H35Cl2N5O and a molecular weight of 420.43 g/mol. Its IUPAC name is 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride
PubChem CID154904644
Molecular FormulaC19H35Cl2N5O
Molecular Weight420.43 g/mol
Exact Mass419.22
IUPAC Name2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCC1(C)CC(NC(=O)Cn2ccc(C3CCCNC3)n2)CC(C)(C)N1.Cl.Cl
InChIInChI=1S/C19H33N5O.2ClH/c1-18(2)10-15(11-19(3,4)23-18)21-17(25)13-24-9-7-16(22-24)14-6-5-8-20-12-14;;/h7,9,14-15,20,23H,5-6,8,10-13H2,1-4H3,(H,21,25);2*1H
InChIKeyXDLWXHFZEDNQHY-UHFFFAOYSA-N
XLogP2.62
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride 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 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride (CID 154904644) is 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride is CC1(C)CC(NC(=O)Cn2ccc(C3CCCNC3)n2)CC(C)(C)N1.Cl.Cl.
What is the InChIKey of 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride?
The InChIKey is XDLWXHFZEDNQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O.2ClH/c1-18(2)10-15(11-19(3,4)23-18)21-17(25)13-24-9-7-16(22-24)14-6-5-8-20-12-14;;/h7,9,14-15,20,23H,5-6,8,10-13H2,1-4H3,(H,21,25);2*1H.
What are the key properties of 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride?
2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride has a molecular weight of 420.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-3-ylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 154904644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).