N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride

C24H31ClN4O — CID 71459130

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
SMILESCC(C)n1nc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c2ccccc21.Cl
InChIInChI=1S/C24H30N4O.ClH/c1-18(2)28-22-11-7-6-10-21(22)23(26-28)24(29)25-16-19-12-14-27(15-13-19)17-20-8-4-3-5-9-20;/h3-11,18-19H,12-17H2,1-2H3,(H,25,29);1H
InChIKeyJTJOXOZYPWCROU-UHFFFAOYSA-N
MW426.99 g/mol
LogP4.68
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride

N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride (PubChem CID 71459130) has the molecular formula C24H31ClN4O and a molecular weight of 426.99 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
PubChem CID71459130
Molecular FormulaC24H31ClN4O
Molecular Weight426.99 g/mol
Exact Mass426.22
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
SMILESCC(C)n1nc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c2ccccc21.Cl
InChIInChI=1S/C24H30N4O.ClH/c1-18(2)28-22-11-7-6-10-21(22)23(26-28)24(29)25-16-19-12-14-27(15-13-19)17-20-8-4-3-5-9-20;/h3-11,18-19H,12-17H2,1-2H3,(H,25,29);1H
InChIKeyJTJOXOZYPWCROU-UHFFFAOYSA-N
XLogP4.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride 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)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride (CID 71459130) is N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride is CC(C)n1nc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c2ccccc21.Cl.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride?
The InChIKey is JTJOXOZYPWCROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O.ClH/c1-18(2)28-22-11-7-6-10-21(22)23(26-28)24(29)25-16-19-12-14-27(15-13-19)17-20-8-4-3-5-9-20;/h3-11,18-19H,12-17H2,1-2H3,(H,25,29);1H.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride?
N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride has a molecular weight of 426.99 g/mol, XLogP of 4.68, 6 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)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71459130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).