1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C25H26N4O3S — CID 44573614

IUPAC1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21
InChIInChI=1S/C25H26N4O3S/c1-33(31,32)29-18-25(22-7-2-3-8-23(22)29)11-15-28(16-12-25)24(30)27-21-6-4-5-20(17-21)19-9-13-26-14-10-19/h2-10,13-14,17H,11-12,15-16,18H2,1H3,(H,27,30)
InChIKeyBBAUNXQABIGIPM-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.09
Rot. Bonds3

About 1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 44573614) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID44573614
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21
InChIInChI=1S/C25H26N4O3S/c1-33(31,32)29-18-25(22-7-2-3-8-23(22)29)11-15-28(16-12-25)24(30)27-21-6-4-5-20(17-21)19-9-13-26-14-10-19/h2-10,13-14,17H,11-12,15-16,18H2,1H3,(H,27,30)
InChIKeyBBAUNXQABIGIPM-UHFFFAOYSA-N
XLogP4.09
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 44573614) is 1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21.
What is the InChIKey of 1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is BBAUNXQABIGIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-33(31,32)29-18-25(22-7-2-3-8-23(22)29)11-15-28(16-12-25)24(30)27-21-6-4-5-20(17-21)19-9-13-26-14-10-19/h2-10,13-14,17H,11-12,15-16,18H2,1H3,(H,27,30).
What are the key properties of 1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(3-pyridin-4-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44573614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).