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

C25H26N4O3S — CID 44573704

IUPAC1-methylsulfonyl-N-(4-pyridin-2-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21
InChIInChI=1S/C25H26N4O3S/c1-33(31,32)29-18-25(21-6-2-3-8-23(21)29)13-16-28(17-14-25)24(30)27-20-11-9-19(10-12-20)22-7-4-5-15-26-22/h2-12,15H,13-14,16-18H2,1H3,(H,27,30)
InChIKeyOUTQPTSVFAZOIX-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.09
Rot. Bonds3

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

1-methylsulfonyl-N-(4-pyridin-2-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 44573704) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(4-pyridin-2-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(4-pyridin-2-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID44573704
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name1-methylsulfonyl-N-(4-pyridin-2-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21
InChIInChI=1S/C25H26N4O3S/c1-33(31,32)29-18-25(21-6-2-3-8-23(21)29)13-16-28(17-14-25)24(30)27-20-11-9-19(10-12-20)22-7-4-5-15-26-22/h2-12,15H,13-14,16-18H2,1H3,(H,27,30)
InChIKeyOUTQPTSVFAZOIX-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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Related Compounds

1-Methanesulfonyl-N-(5-phenyl-2-pyrazinyl)spiro[indoline-3,4'-piperidine]-1'-carboxamide
CID 12108781
1-(methylsulfonyl)-N-(5-phenylpyrimidin-2-yl)spiro[indoline-3,4''-piperidine]-1''-carboxamide
CID 18004895
1-(methylsulfonyl)-N-(2-phenylpyrimidin-5-yl)spiro[indoline-3,4''-piperidine]-1''-carboxamide
CID 18004939
1-(methylsulfonyl)-N-(5-phenylpyridin-2-yl)spiro[indoline-3,4''-piperidine]-1''-carboxamide
CID 18004955
1-(methylsulfonyl)-N-(6-phenylpyridin-3-yl)spiro[indoline-3,4''-piperidine]-1''-carboxamide
CID 18004997
N-[4-(1-isobutyrylpiperidin-4-yl)phenyl]-1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510249
N-[4-(1-methylimidazol-2-yl)phenyl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 9847333
1-(methylsulfonyl)-N-(4-(pyridin-4-yl)phenyl)spiro[indoline-3,4''-piperidine]-1''-carboxamide
CID 9890550
5-Phenyl-1-(3-pyridylcarbamoyl)indoline
CID 10852828
N-(4-(1H-indol-5-yl)benzyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 46882874
N-(4-ethylphenyl)-4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carboxamide
CID 16011485
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-phenylindole-1-carboxamide
CID 44388954

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(4-pyridin-2-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(4-pyridin-2-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 44573704) is 1-methylsulfonyl-N-(4-pyridin-2-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(4-pyridin-2-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(4-pyridin-2-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-methylsulfonyl-N-(4-pyridin-2-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is OUTQPTSVFAZOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-33(31,32)29-18-25(21-6-2-3-8-23(21)29)13-16-28(17-14-25)24(30)27-20-11-9-19(10-12-20)22-7-4-5-15-26-22/h2-12,15H,13-14,16-18H2,1H3,(H,27,30).
What are the key properties of 1-methylsulfonyl-N-(4-pyridin-2-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
1-methylsulfonyl-N-(4-pyridin-2-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-(4-pyridin-2-ylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44573704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).