4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide

C24H24N4OS — CID 69059153

IUPAC4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3ccsc3)ccc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H24N4OS/c29-24(28-11-8-18(9-12-28)14-17-4-2-1-3-5-17)25-23-21-7-6-19(15-22(21)26-27-23)20-10-13-30-16-20/h1-7,10,13,15-16,18H,8-9,11-12,14H2,(H2,25,26,27,29)
InChIKeyHUPUARTWTJHNMN-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.78
Rot. Bonds4

About 4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide

4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 69059153) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID69059153
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3ccsc3)ccc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H24N4OS/c29-24(28-11-8-18(9-12-28)14-17-4-2-1-3-5-17)25-23-21-7-6-19(15-22(21)26-27-23)20-10-13-30-16-20/h1-7,10,13,15-16,18H,8-9,11-12,14H2,(H2,25,26,27,29)
InChIKeyHUPUARTWTJHNMN-UHFFFAOYSA-N
XLogP5.78
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide (CID 69059153) is 4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide is O=C(Nc1n[nH]c2cc(-c3ccsc3)ccc12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is HUPUARTWTJHNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c29-24(28-11-8-18(9-12-28)14-17-4-2-1-3-5-17)25-23-21-7-6-19(15-22(21)26-27-23)20-10-13-30-16-20/h1-7,10,13,15-16,18H,8-9,11-12,14H2,(H2,25,26,27,29).
What are the key properties of 4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide?
4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 69059153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).