N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C26H31FN2O — CID 97375802

IUPACN-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESO=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)NCC1CC1
InChIInChI=1S/C26H31FN2O/c27-22-9-7-20(8-10-22)18-29-13-11-26(12-14-29)16-21(23-3-1-2-4-24(23)26)15-25(30)28-17-19-5-6-19/h1-4,7-10,19,21H,5-6,11-18H2,(H,28,30)/t21-/m1/s1
InChIKeyZIGRJVKLWVLJRB-OAQYLSRUSA-N
MW406.55 g/mol
LogP4.76
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 97375802) has the molecular formula C26H31FN2O and a molecular weight of 406.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID97375802
Molecular FormulaC26H31FN2O
Molecular Weight406.55 g/mol
Exact Mass406.24
IUPAC NameN-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESO=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)NCC1CC1
InChIInChI=1S/C26H31FN2O/c27-22-9-7-20(8-10-22)18-29-13-11-26(12-14-29)16-21(23-3-1-2-4-24(23)26)15-25(30)28-17-19-5-6-19/h1-4,7-10,19,21H,5-6,11-18H2,(H,28,30)/t21-/m1/s1
InChIKeyZIGRJVKLWVLJRB-OAQYLSRUSA-N
XLogP4.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375811
2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
CID 97375716
N-cyclobutyl-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375886
N-(cyclopropylmethyl)-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131645925
N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375799
N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375807
N-(cyclopropylmethyl)-2-[1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155829419
N-(cyclopropylmethyl)-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1-ylacetamide
CID 118740888
N-cyclobutyl-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375895
2-[1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155829126
N-cyclopropyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131657389
N-(cyclopropylmethyl)-2-[1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131651674

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 97375802) is N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is O=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is ZIGRJVKLWVLJRB-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H31FN2O/c27-22-9-7-20(8-10-22)18-29-13-11-26(12-14-29)16-21(23-3-1-2-4-24(23)26)15-25(30)28-17-19-5-6-19/h1-4,7-10,19,21H,5-6,11-18H2,(H,28,30)/t21-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 406.55 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 97375802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).