(2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one

C22H25FN2O — CID 139512071

IUPAC(2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one
SMILESC[C@H](C(=O)N1CCC2(CC1)Cc1ccccc1[C@H]2N)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O/c1-15(16-6-8-18(23)9-7-16)21(26)25-12-10-22(11-13-25)14-17-4-2-3-5-19(17)20(22)24/h2-9,15,20H,10-14,24H2,1H3/t15-,20+/m0/s1
InChIKeyKSFGUWFJDMFNBW-MGPUTAFESA-N
MW352.45 g/mol
LogP3.79
Rot. Bonds2

About (2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one

(2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one (PubChem CID 139512071) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is (2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one
PubChem CID139512071
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name(2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one
SMILESC[C@H](C(=O)N1CCC2(CC1)Cc1ccccc1[C@H]2N)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O/c1-15(16-6-8-18(23)9-7-16)21(26)25-12-10-22(11-13-25)14-17-4-2-3-5-19(17)20(22)24/h2-9,15,20H,10-14,24H2,1H3/t15-,20+/m0/s1
InChIKeyKSFGUWFJDMFNBW-MGPUTAFESA-N
XLogP3.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indecainide
CID 52195
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
CID 6918854
(2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]-N,N-dimethylethanamide
CID 11465834
(3R,6R)-1-[(1R)-2-(azetidin-1-yl)-1-(2,4-difluorophenyl)-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 11569527
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11590596
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methylacetamide
CID 11662784
CCR2 Antagonist
CID 44454820
trans-(1S,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 44425645
trans-(1R,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpropyl)-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
CID 44425647
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263511
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263512
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-prop-2-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263515

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one?
The IUPAC name of (2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one (CID 139512071) is (2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for (2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one?
The canonical SMILES for (2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one is C[C@H](C(=O)N1CCC2(CC1)Cc1ccccc1[C@H]2N)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one?
The InChIKey is KSFGUWFJDMFNBW-MGPUTAFESA-N. The full InChI is InChI=1S/C22H25FN2O/c1-15(16-6-8-18(23)9-7-16)21(26)25-12-10-22(11-13-25)14-17-4-2-3-5-19(17)20(22)24/h2-9,15,20H,10-14,24H2,1H3/t15-,20+/m0/s1.
What are the key properties of (2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one?
(2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one has a molecular weight of 352.45 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 139512071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).