N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide

C23H28N4O — CID 10499786

IUPACN-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C23H28N4O/c1-17(2)27-21-11-7-6-10-20(21)22(25-27)23(28)24-19-12-14-26(15-13-19)16-18-8-4-3-5-9-18/h3-11,17,19H,12-16H2,1-2H3,(H,24,28)
InChIKeyBWNPJXJNWYUPES-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.01
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide (PubChem CID 10499786) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide
PubChem CID10499786
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C23H28N4O/c1-17(2)27-21-11-7-6-10-20(21)22(25-27)23(28)24-19-12-14-26(15-13-19)16-18-8-4-3-5-9-18/h3-11,17,19H,12-16H2,1-2H3,(H,24,28)
InChIKeyBWNPJXJNWYUPES-UHFFFAOYSA-N
XLogP4.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide 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 N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide (CID 10499786) is N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is BWNPJXJNWYUPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17(2)27-21-11-7-6-10-20(21)22(25-27)23(28)24-19-12-14-26(15-13-19)16-18-8-4-3-5-9-18/h3-11,17,19H,12-16H2,1-2H3,(H,24,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 10499786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).