N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C20H25N3OS — CID 118744266

IUPACN-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCNC(=O)CC1CC2(CCN(Cc3nccs3)CC2)c2ccccc21
InChIInChI=1S/C20H25N3OS/c1-21-18(24)12-15-13-20(17-5-3-2-4-16(15)17)6-9-23(10-7-20)14-19-22-8-11-25-19/h2-5,8,11,15H,6-7,9-10,12-14H2,1H3,(H,21,24)
InChIKeyNPRGOFLZLVGJME-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.30
Rot. Bonds4

About N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 118744266) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID118744266
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCNC(=O)CC1CC2(CCN(Cc3nccs3)CC2)c2ccccc21
InChIInChI=1S/C20H25N3OS/c1-21-18(24)12-15-13-20(17-5-3-2-4-16(15)17)6-9-23(10-7-20)14-19-22-8-11-25-19/h2-5,8,11,15H,6-7,9-10,12-14H2,1H3,(H,21,24)
InChIKeyNPRGOFLZLVGJME-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 118744266) is N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CNC(=O)CC1CC2(CCN(Cc3nccs3)CC2)c2ccccc21.
What is the InChIKey of N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is NPRGOFLZLVGJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-21-18(24)12-15-13-20(17-5-3-2-4-16(15)17)6-9-23(10-7-20)14-19-22-8-11-25-19/h2-5,8,11,15H,6-7,9-10,12-14H2,1H3,(H,21,24).
What are the key properties of N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 355.51 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 118744266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).