N-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide

C26H25F3N2O2S — CID 42326270

IUPACN-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1c(F)ccc(F)c1F)CC2
InChIInChI=1S/C26H25F3N2O2S/c1-33-24-23(30-25(32)16-8-13-34-15-16)17-4-2-3-5-19(17)26(24)9-11-31(12-10-26)14-18-20(27)6-7-21(28)22(18)29/h2-8,13,15,23-24H,9-12,14H2,1H3,(H,30,32)/t23-,24+/m1/s1
InChIKeyZLELPOASXZWUAJ-RPWUZVMVSA-N
MW486.56 g/mol
LogP5.20
Rot. Bonds5

About N-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide

N-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (PubChem CID 42326270) has the molecular formula C26H25F3N2O2S and a molecular weight of 486.56 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
PubChem CID42326270
Molecular FormulaC26H25F3N2O2S
Molecular Weight486.56 g/mol
Exact Mass486.16
IUPAC NameN-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1c(F)ccc(F)c1F)CC2
InChIInChI=1S/C26H25F3N2O2S/c1-33-24-23(30-25(32)16-8-13-34-15-16)17-4-2-3-5-19(17)26(24)9-11-31(12-10-26)14-18-20(27)6-7-21(28)22(18)29/h2-8,13,15,23-24H,9-12,14H2,1H3,(H,30,32)/t23-,24+/m1/s1
InChIKeyZLELPOASXZWUAJ-RPWUZVMVSA-N
XLogP5.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.56
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2R*,3R*)-3-amino-1'-[(5-isopropyl-3-thienyl)carbonyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56901608
3-chloro-N-[rel-(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-thiophenecarboxamide hydrochloride
CID 70781729
N-[(2R*,3R*)-1'-(2,3-difluorobenzyl)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-3-thiophenecarboxamide
CID 26274703
N-[(2R*,3R*)-1'-(4-fluorobenzyl)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(methylthio)acetamide
CID 26343853
N-[(2R*,3R*)-2-(2-methoxyethoxy)-1'-(3-thienylacetyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]propanamide
CID 26354248
N-[(1R,2R)-1'-[(2,5-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 42162786
N-[(1R,2R)-1'-[(2,3-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42163259
3-fluoro-N-[(2R*,3R*)-2-methoxy-1'-(3-thienylmethyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]benzamide
CID 42274765
N-[(2R*,3R*)-1'-(2-fluoro-4-methoxybenzyl)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-thiophenecarboxamide
CID 42275878
3-fluoro-N-{(2R*,3R*)-2-methoxy-1'-[(2E)-2-methyl-2-buten-1-yl]-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}benzamide
CID 42369508
N-[(2R*,3R*)-1'-(2,6-difluorobenzyl)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-thiophenecarboxamide
CID 42379197
N-[(1R,2R)-1'-[(3-fluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42379847

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide (CID 42326270) is N-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide is CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CCN(Cc1c(F)ccc(F)c1F)CC2.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
The InChIKey is ZLELPOASXZWUAJ-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H25F3N2O2S/c1-33-24-23(30-25(32)16-8-13-34-15-16)17-4-2-3-5-19(17)26(24)9-11-31(12-10-26)14-18-20(27)6-7-21(28)22(18)29/h2-8,13,15,23-24H,9-12,14H2,1H3,(H,30,32)/t23-,24+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide?
N-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide has a molecular weight of 486.56 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxy-1'-[(2,3,6-trifluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide is sourced from PubChem (CID 42326270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).