1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide

C25H28N4OS — CID 134809739

IUPAC1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
SMILESCN1CCCC2(C1)CN(Cc1cccnc1)c1ccc(C(=O)NCc3cccs3)cc12
InChIInChI=1S/C25H28N4OS/c1-28-11-4-9-25(17-28)18-29(16-19-5-2-10-26-14-19)23-8-7-20(13-22(23)25)24(30)27-15-21-6-3-12-31-21/h2-3,5-8,10,12-14H,4,9,11,15-18H2,1H3,(H,27,30)
InChIKeyQDCXELANMNYYBD-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.06
Rot. Bonds5

About 1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide

1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide (PubChem CID 134809739) has the molecular formula C25H28N4OS and a molecular weight of 432.59 g/mol. Its IUPAC name is 1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide.

Molecular Properties

Compound Name1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
PubChem CID134809739
Molecular FormulaC25H28N4OS
Molecular Weight432.59 g/mol
Exact Mass432.20
IUPAC Name1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
SMILESCN1CCCC2(C1)CN(Cc1cccnc1)c1ccc(C(=O)NCc3cccs3)cc12
InChIInChI=1S/C25H28N4OS/c1-28-11-4-9-25(17-28)18-29(16-19-5-2-10-26-14-19)23-8-7-20(13-22(23)25)24(30)27-15-21-6-3-12-31-21/h2-3,5-8,10,12-14H,4,9,11,15-18H2,1H3,(H,27,30)
InChIKeyQDCXELANMNYYBD-UHFFFAOYSA-N
XLogP4.06
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134806768
1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide
CID 110764380
1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155830759
N-(cyclopropylmethyl)-1'-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134809965
1-methylsulfonyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8894179
1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide
CID 52986188
2-methyl-3-oxo-7-(2-pyridin-3-ylacetyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 176506501
2-methyl-N-(pyridin-3-ylmethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134082665
3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448190
1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662618
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 50754186
N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
CID 20903323

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide?
The IUPAC name of 1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide (CID 134809739) is 1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide.
What is the SMILES notation for 1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide?
The canonical SMILES for 1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide is CN1CCCC2(C1)CN(Cc1cccnc1)c1ccc(C(=O)NCc3cccs3)cc12.
What is the InChIKey of 1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide?
The InChIKey is QDCXELANMNYYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4OS/c1-28-11-4-9-25(17-28)18-29(16-19-5-2-10-26-14-19)23-8-7-20(13-22(23)25)24(30)27-15-21-6-3-12-31-21/h2-3,5-8,10,12-14H,4,9,11,15-18H2,1H3,(H,27,30).
What are the key properties of 1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide?
1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide is sourced from PubChem (CID 134809739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).