N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C24H33N3O2 — CID 97375988

IUPACN-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCN(C)CCNC(=O)C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21
InChIInChI=1S/C24H33N3O2/c1-26(2)13-10-25-23(28)15-20-16-24(22-6-4-3-5-21(20)22)8-11-27(12-9-24)17-19-7-14-29-18-19/h3-7,14,18,20H,8-13,15-17H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyMOSAPQDWGAAPEF-HXUWFJFHSA-N
MW395.55 g/mol
LogP3.37
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 97375988) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID97375988
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCN(C)CCNC(=O)C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21
InChIInChI=1S/C24H33N3O2/c1-26(2)13-10-25-23(28)15-20-16-24(22-6-4-3-5-21(20)22)8-11-27(12-9-24)17-19-7-14-29-18-19/h3-7,14,18,20H,8-13,15-17H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyMOSAPQDWGAAPEF-HXUWFJFHSA-N
XLogP3.37
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376005
N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376004
N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375993
2-[(1R)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376049
N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376033
N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131647919
N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155843627
2-[1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155847153
2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
CID 97375716
N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375811
N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375802
N-[2-(dimethylamino)ethyl]-2-[1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155863331

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 97375988) is N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CN(C)CCNC(=O)C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is MOSAPQDWGAAPEF-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-26(2)13-10-25-23(28)15-20-16-24(22-6-4-3-5-21(20)22)8-11-27(12-9-24)17-19-7-14-29-18-19/h3-7,14,18,20H,8-13,15-17H2,1-2H3,(H,25,28)/t20-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 97375988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).