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

C20H25N3OS — CID 134806768

IUPAC1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
SMILESCN1CCCC2(C1)CN(C)c1ccc(C(=O)NCc3cccs3)cc12
InChIInChI=1S/C20H25N3OS/c1-22-9-4-8-20(13-22)14-23(2)18-7-6-15(11-17(18)20)19(24)21-12-16-5-3-10-25-16/h3,5-7,10-11H,4,8-9,12-14H2,1-2H3,(H,21,24)
InChIKeyDYCLPVCQXWYYEQ-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.09
Rot. Bonds3

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

1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide (PubChem CID 134806768) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide.

Molecular Properties

Compound Name1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
PubChem CID134806768
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
SMILESCN1CCCC2(C1)CN(C)c1ccc(C(=O)NCc3cccs3)cc12
InChIInChI=1S/C20H25N3OS/c1-22-9-4-8-20(13-22)14-23(2)18-7-6-15(11-17(18)20)19(24)21-12-16-5-3-10-25-16/h3,5-7,10-11H,4,8-9,12-14H2,1-2H3,(H,21,24)
InChIKeyDYCLPVCQXWYYEQ-UHFFFAOYSA-N
XLogP3.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134809739
1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134805058
1-methylsulfonyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8894179
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
4-ethyl-3-oxo-N-(thiophen-2-ylmethyl)-1,4-benzothiazine-6-carboxamide
CID 4671133
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584445
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53109956
N-(thiophen-2-ylmethyl)-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]benzamide
CID 20903323
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 46349331
1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134808150
4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55597318

Frequently Asked Questions

What is the IUPAC name of 1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide?
The IUPAC name of 1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide (CID 134806768) is 1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide.
What is the SMILES notation for 1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide?
The canonical SMILES for 1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide is CN1CCCC2(C1)CN(C)c1ccc(C(=O)NCc3cccs3)cc12.
What is the InChIKey of 1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide?
The InChIKey is DYCLPVCQXWYYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-22-9-4-8-20(13-22)14-23(2)18-7-6-15(11-17(18)20)19(24)21-12-16-5-3-10-25-16/h3,5-7,10-11H,4,8-9,12-14H2,1-2H3,(H,21,24).
What are the key properties of 1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide?
1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide has a molecular weight of 355.51 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide is sourced from PubChem (CID 134806768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).