N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide

C28H29FN2O4 — CID 26274622

IUPACN-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide
SMILESCO[C@H]1[C@H](NC(=O)c2cccc(F)c2)c2ccccc2C12CCN(C(=O)c1cc(C)oc1C)CC2
InChIInChI=1S/C28H29FN2O4/c1-17-15-22(18(2)35-17)27(33)31-13-11-28(12-14-31)23-10-5-4-9-21(23)24(25(28)34-3)30-26(32)19-7-6-8-20(29)16-19/h4-10,15-16,24-25H,11-14H2,1-3H3,(H,30,32)/t24-,25+/m1/s1
InChIKeyCYRHNPCSUVFREB-RPBOFIJWSA-N
MW476.55 g/mol
LogP4.71
Rot. Bonds4

About N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide

N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide (PubChem CID 26274622) has the molecular formula C28H29FN2O4 and a molecular weight of 476.55 g/mol. Its IUPAC name is N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide
PubChem CID26274622
Molecular FormulaC28H29FN2O4
Molecular Weight476.55 g/mol
Exact Mass476.21
IUPAC NameN-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide
SMILESCO[C@H]1[C@H](NC(=O)c2cccc(F)c2)c2ccccc2C12CCN(C(=O)c1cc(C)oc1C)CC2
InChIInChI=1S/C28H29FN2O4/c1-17-15-22(18(2)35-17)27(33)31-13-11-28(12-14-31)23-10-5-4-9-21(23)24(25(28)34-3)30-26(32)19-7-6-8-20(29)16-19/h4-10,15-16,24-25H,11-14H2,1-3H3,(H,30,32)/t24-,25+/m1/s1
InChIKeyCYRHNPCSUVFREB-RPBOFIJWSA-N
XLogP4.71
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42167159
N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42339903
N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
CID 42247970
N-[(1R,2R)-1'-(furan-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42453668
4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
CID 133124703
N-[(1S,2S)-1'-[(2,5-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide
CID 133134966
2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
CID 42190855
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride
CID 154895204
4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride
CID 154895064
N-[(1R,2R)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 42210393
N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 133126917
N-[(1R,2R)-2-methoxy-1'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide
CID 42449869

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide?
The IUPAC name of N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide (CID 26274622) is N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide?
The canonical SMILES for N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide is CO[C@H]1[C@H](NC(=O)c2cccc(F)c2)c2ccccc2C12CCN(C(=O)c1cc(C)oc1C)CC2.
What is the InChIKey of N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide?
The InChIKey is CYRHNPCSUVFREB-RPBOFIJWSA-N. The full InChI is InChI=1S/C28H29FN2O4/c1-17-15-22(18(2)35-17)27(33)31-13-11-28(12-14-31)23-10-5-4-9-21(23)24(25(28)34-3)30-26(32)19-7-6-8-20(29)16-19/h4-10,15-16,24-25H,11-14H2,1-3H3,(H,30,32)/t24-,25+/m1/s1.
What are the key properties of N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide?
N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide has a molecular weight of 476.55 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide is sourced from PubChem (CID 26274622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).