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

C23H31N3OS — CID 97376154

IUPACN,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21
InChIInChI=1S/C23H31N3OS/c1-3-26(4-2)22(27)15-18-16-23(20-8-6-5-7-19(18)20)9-12-25(13-10-23)17-21-24-11-14-28-21/h5-8,11,14,18H,3-4,9-10,12-13,15-17H2,1-2H3/t18-/m1/s1
InChIKeyWEMGSZPFDJBKNG-GOSISDBHSA-N
MW397.59 g/mol
LogP4.42
Rot. Bonds6

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

N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 97376154) has the molecular formula C23H31N3OS and a molecular weight of 397.59 g/mol. Its IUPAC name is N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID97376154
Molecular FormulaC23H31N3OS
Molecular Weight397.59 g/mol
Exact Mass397.22
IUPAC NameN,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21
InChIInChI=1S/C23H31N3OS/c1-3-26(4-2)22(27)15-18-16-23(20-8-6-5-7-19(18)20)9-12-25(13-10-23)17-21-24-11-14-28-21/h5-8,11,14,18H,3-4,9-10,12-13,15-17H2,1-2H3/t18-/m1/s1
InChIKeyWEMGSZPFDJBKNG-GOSISDBHSA-N
XLogP4.42
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-diethylacetamide
CID 97376186
N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375799
N,N-diethyl-2-[1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155837322
N,N-diethyl-2-(1'-ethylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
CID 131651770
N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97400683
N,N-dimethyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131639689
N,N-diethyl-2-[1'-(1-methylpyrrole-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131661496
N,N-diethyl-2-[1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131644637
N,N-dimethyl-2-[(1S)-1'-pyrimidin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97452698
N-methyl-2-[1'-(thiophen-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131657425
N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131663503
1-(4-methylpiperazin-1-yl)-2-[1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131647651

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 97376154) is N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3nccs3)CC2)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is WEMGSZPFDJBKNG-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31N3OS/c1-3-26(4-2)22(27)15-18-16-23(20-8-6-5-7-19(18)20)9-12-25(13-10-23)17-21-24-11-14-28-21/h5-8,11,14,18H,3-4,9-10,12-13,15-17H2,1-2H3/t18-/m1/s1.
What are the key properties of N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 397.59 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(1S)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 97376154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).