2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

C86H130F3N9O5 — CID 160847520

IUPAC2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCC2(CCN(CCCC(F)(F)F)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@H](N3CCCC3=O)c3ccccc32)CC1.CC(C)CCN1CCC2(CC[C@H](N3CCCC3=O)c3ccccc32)CC1.CCNC(=O)CN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.[H][H].[H][H].[H][H]
InChIInChI=1S/C24H36N2O.C23H34N2O.C20H27F3N2O.C19H27N3O2.3H2/c1-23(2,3)12-16-25-17-13-24(14-18-25)11-10-21(26-15-6-9-22(26)27)19-7-4-5-8-20(19)24;1-18(2)10-15-24-16-12-23(13-17-24)11-9-21(25-14-5-8-22(25)26)19-6-3-4-7-20(19)23;1-15(26)24-18-7-9-19(17-6-3-2-5-16(17)18)10-13-25(14-11-19)12-4-8-20(21,22)23;1-3-20-18(24)13-22-10-8-19(9-11-22)12-17(21-14(2)23)15-6-4-5-7-16(15)19;;;/h4-5,7-8,21H,6,9-18H2,1-3H3;3-4,6-7,18,21H,5,8-17H2,1-2H3;2-3,5-6,18H,4,7-14H2,1H3,(H,24,26);4-7,17H,3,8-13H2,1-2H3,(H,20,24)(H,21,23);3*1H/t2*21-;18-;17-;;;/m0000.../s1
InChIKeySIVKIZDRAGHDNO-RFKLSBCMSA-N
MW1427.04 g/mol
LogP16.25
Rot. Bonds15

About 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 160847520) has the molecular formula C86H130F3N9O5 and a molecular weight of 1427.04 g/mol. Its IUPAC name is 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
PubChem CID160847520
Molecular FormulaC86H130F3N9O5
Molecular Weight1427.04 g/mol
Exact Mass1426.01
IUPAC Name2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCC2(CCN(CCCC(F)(F)F)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@H](N3CCCC3=O)c3ccccc32)CC1.CC(C)CCN1CCC2(CC[C@H](N3CCCC3=O)c3ccccc32)CC1.CCNC(=O)CN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.[H][H].[H][H].[H][H]
InChIInChI=1S/C24H36N2O.C23H34N2O.C20H27F3N2O.C19H27N3O2.3H2/c1-23(2,3)12-16-25-17-13-24(14-18-25)11-10-21(26-15-6-9-22(26)27)19-7-4-5-8-20(19)24;1-18(2)10-15-24-16-12-23(13-17-24)11-9-21(25-14-5-8-22(25)26)19-6-3-4-7-20(19)23;1-15(26)24-18-7-9-19(17-6-3-2-5-16(17)18)10-13-25(14-11-19)12-4-8-20(21,22)23;1-3-20-18(24)13-22-10-8-19(9-11-22)12-17(21-14(2)23)15-6-4-5-7-16(15)19;;;/h4-5,7-8,21H,6,9-18H2,1-3H3;3-4,6-7,18,21H,5,8-17H2,1-2H3;2-3,5-6,18H,4,7-14H2,1H3,(H,24,26);4-7,17H,3,8-13H2,1-2H3,(H,20,24)(H,21,23);3*1H/t2*21-;18-;17-;;;/m0000.../s1
InChIKeySIVKIZDRAGHDNO-RFKLSBCMSA-N
XLogP16.25
TPSA140.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001427.04
LogP ≤ 516.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The IUPAC name of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (CID 160847520) is 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@H]1CCC2(CCN(CCCC(F)(F)F)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@H](N3CCCC3=O)c3ccccc32)CC1.CC(C)CCN1CCC2(CC[C@H](N3CCCC3=O)c3ccccc32)CC1.CCNC(=O)CN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.[H][H].[H][H].[H][H].
What is the InChIKey of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The InChIKey is SIVKIZDRAGHDNO-RFKLSBCMSA-N. The full InChI is InChI=1S/C24H36N2O.C23H34N2O.C20H27F3N2O.C19H27N3O2.3H2/c1-23(2,3)12-16-25-17-13-24(14-18-25)11-10-21(26-15-6-9-22(26)27)19-7-4-5-8-20(19)24;1-18(2)10-15-24-16-12-23(13-17-24)11-9-21(25-14-5-8-22(25)26)19-6-3-4-7-20(19)23;1-15(26)24-18-7-9-19(17-6-3-2-5-16(17)18)10-13-25(14-11-19)12-4-8-20(21,22)23;1-3-20-18(24)13-22-10-8-19(9-11-22)12-17(21-14(2)23)15-6-4-5-7-16(15)19;;;/h4-5,7-8,21H,6,9-18H2,1-3H3;3-4,6-7,18,21H,5,8-17H2,1-2H3;2-3,5-6,18H,4,7-14H2,1H3,(H,24,26);4-7,17H,3,8-13H2,1-2H3,(H,20,24)(H,21,23);3*1H/t2*21-;18-;17-;;;/m0000.../s1.
What are the key properties of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 1427.04 g/mol, XLogP of 16.25, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;1-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;1-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen;N-[(1S)-1'-(4,4,4-trifluorobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 160847520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).