N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide

C20H20Cl2N4O — CID 56658556

IUPACN-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide
SMILESO=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H20Cl2N4O/c21-16-3-1-13(10-17(16)22)19(12-5-7-23-8-6-12)25-20(27)14-2-4-18-15(9-14)11-24-26-18/h1-4,9-12,19,23H,5-8H2,(H,24,26)(H,25,27)
InChIKeyIKANYDMRAFPCDG-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.34
Rot. Bonds4

About N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide

N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide (PubChem CID 56658556) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide
PubChem CID56658556
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC NameN-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide
SMILESO=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H20Cl2N4O/c21-16-3-1-13(10-17(16)22)19(12-5-7-23-8-6-12)25-20(27)14-2-4-18-15(9-14)11-24-26-18/h1-4,9-12,19,23H,5-8H2,(H,24,26)(H,25,27)
InChIKeyIKANYDMRAFPCDG-UHFFFAOYSA-N
XLogP4.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide (CID 56658556) is N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide is O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide?
The InChIKey is IKANYDMRAFPCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c21-16-3-1-13(10-17(16)22)19(12-5-7-23-8-6-12)25-20(27)14-2-4-18-15(9-14)11-24-26-18/h1-4,9-12,19,23H,5-8H2,(H,24,26)(H,25,27).
What are the key properties of N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide?
N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide has a molecular weight of 403.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-piperidin-4-ylmethyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 56658556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).