1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one

C19H22N2OS — CID 97375629

IUPAC1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCc1ccc(CN2CCC3(CC2)C(=O)N(C)c2ccccc23)s1
InChIInChI=1S/C19H22N2OS/c1-14-7-8-15(23-14)13-21-11-9-19(10-12-21)16-5-3-4-6-17(16)20(2)18(19)22/h3-8H,9-13H2,1-2H3
InChIKeyZIQQBMPZMMBLIZ-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.57
Rot. Bonds2

About 1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one

1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 97375629) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID97375629
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCc1ccc(CN2CCC3(CC2)C(=O)N(C)c2ccccc23)s1
InChIInChI=1S/C19H22N2OS/c1-14-7-8-15(23-14)13-21-11-9-19(10-12-21)16-5-3-4-6-17(16)20(2)18(19)22/h3-8H,9-13H2,1-2H3
InChIKeyZIQQBMPZMMBLIZ-UHFFFAOYSA-N
XLogP3.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
2a-(4-(4,5,6,7-Tetrahydro-thieno[3,2-c]pyridin-5-yl)butyl)-2a,3,4,5-tetrahydro-1H-benz[cd]indol-2-one
CID 9799318
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-3-ethyl-1H-indol-2-one
CID 11566558
2a-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1-methyl-4,5-dihydro-3H-benzo[cd]indol-2-one
CID 11740526
2a-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]-1-ethyl-4,5-dihydro-3H-benzo[cd]indol-2-one
CID 18377388
5-(3,3-Dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-4-methyl-thiophene-2-carbonitrile
CID 21986241
N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891055
N-[2,6-dimethyl-4-(2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)phenyl]-3,3-dimethylbutanamide
CID 123944725
[4-(2-Methylphenyl)-1-piperazinyl]-(5-propyl-3-thiophenyl)methanone
CID 1246661
1-methyl-3-[2-oxo-2-(2-thienyl)ethylidene]-1,3-dihydro-2H-indol-2-one
CID 2199895
2,3-Dihydroindol-1-yl-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 2576382
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanone
CID 2971209

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one (CID 97375629) is 1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one is Cc1ccc(CN2CCC3(CC2)C(=O)N(C)c2ccccc23)s1.
What is the InChIKey of 1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is ZIQQBMPZMMBLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-14-7-8-15(23-14)13-21-11-9-19(10-12-21)16-5-3-4-6-17(16)20(2)18(19)22/h3-8H,9-13H2,1-2H3.
What are the key properties of 1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one?
1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 326.47 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 97375629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).