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

C18H20N4OS — CID 69057728

IUPAC3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2n[nH]c3cc(-c4ccsc4)ccc23)C1
InChIInChI=1S/C18H20N4OS/c1-12-3-2-7-22(10-12)18(23)19-17-15-5-4-13(9-16(15)20-21-17)14-6-8-24-11-14/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H2,19,20,21,23)
InChIKeyVSSDDZYRUHABMQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.56
Rot. Bonds2

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

3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 69057728) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID69057728
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2n[nH]c3cc(-c4ccsc4)ccc23)C1
InChIInChI=1S/C18H20N4OS/c1-12-3-2-7-22(10-12)18(23)19-17-15-5-4-13(9-16(15)20-21-17)14-6-8-24-11-14/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H2,19,20,21,23)
InChIKeyVSSDDZYRUHABMQ-UHFFFAOYSA-N
XLogP4.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide (CID 69057728) is 3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide is CC1CCCN(C(=O)Nc2n[nH]c3cc(-c4ccsc4)ccc23)C1.
What is the InChIKey of 3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is VSSDDZYRUHABMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-3-2-7-22(10-12)18(23)19-17-15-5-4-13(9-16(15)20-21-17)14-6-8-24-11-14/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H2,19,20,21,23).
What are the key properties of 3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide?
3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-thiophen-3-yl-1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 69057728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).