N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen

C80H126F3N7O5 — CID 160799795

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen
SMILESCC(C)C[C@@H](C(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21)N1CCCC1=O.CCN(C(=O)CC(F)(F)F)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CCN(C(=O)COC)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H]
InChIInChI=1S/C30H47N3O2.C25H37F3N2O.C25H40N2O2.H2/c1-22(2)21-26(33-17-8-11-27(33)34)28(35)31-25-12-13-30(24-10-7-6-9-23(24)25)15-19-32(20-16-30)18-14-29(3,4)5;1-5-30(22(31)18-25(26,27)28)21-10-11-24(20-9-7-6-8-19(20)21)13-16-29(17-14-24)15-12-23(2,3)4;1-6-27(23(28)19-29-5)22-11-12-25(21-10-8-7-9-20(21)22)14-17-26(18-15-25)16-13-24(2,3)4;/h6-7,9-10,22,25-26H,8,11-21H2,1-5H3,(H,31,35);6-9,21H,5,10-18H2,1-4H3;7-10,22H,6,11-19H2,1-5H3;1H/t25-,26+;21-;22-;/m100./s1
InChIKeySCXOLDFDUSDPMX-PXEGIHMYSA-N
MW1322.93 g/mol
LogP16.57
Rot. Bonds18

About N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen (PubChem CID 160799795) has the molecular formula C80H126F3N7O5 and a molecular weight of 1322.93 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen
PubChem CID160799795
Molecular FormulaC80H126F3N7O5
Molecular Weight1322.93 g/mol
Exact Mass1321.98
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen
SMILESCC(C)C[C@@H](C(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21)N1CCCC1=O.CCN(C(=O)CC(F)(F)F)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CCN(C(=O)COC)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H]
InChIInChI=1S/C30H47N3O2.C25H37F3N2O.C25H40N2O2.H2/c1-22(2)21-26(33-17-8-11-27(33)34)28(35)31-25-12-13-30(24-10-7-6-9-23(24)25)15-19-32(20-16-30)18-14-29(3,4)5;1-5-30(22(31)18-25(26,27)28)21-10-11-24(20-9-7-6-8-19(20)21)13-16-29(17-14-24)15-12-23(2,3)4;1-6-27(23(28)19-29-5)22-11-12-25(21-10-8-7-9-20(21)22)14-17-26(18-15-25)16-13-24(2,3)4;/h6-7,9-10,22,25-26H,8,11-21H2,1-5H3,(H,31,35);6-9,21H,5,10-18H2,1-4H3;7-10,22H,6,11-19H2,1-5H3;1H/t25-,26+;21-;22-;/m100./s1
InChIKeySCXOLDFDUSDPMX-PXEGIHMYSA-N
XLogP16.57
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001322.93
LogP ≤ 516.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen (CID 160799795) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen is CC(C)C[C@@H](C(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21)N1CCCC1=O.CCN(C(=O)CC(F)(F)F)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CCN(C(=O)COC)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H].
What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen?
The InChIKey is SCXOLDFDUSDPMX-PXEGIHMYSA-N. The full InChI is InChI=1S/C30H47N3O2.C25H37F3N2O.C25H40N2O2.H2/c1-22(2)21-26(33-17-8-11-27(33)34)28(35)31-25-12-13-30(24-10-7-6-9-23(24)25)15-19-32(20-16-30)18-14-29(3,4)5;1-5-30(22(31)18-25(26,27)28)21-10-11-24(20-9-7-6-8-19(20)21)13-16-29(17-14-24)15-12-23(2,3)4;1-6-27(23(28)19-29-5)22-11-12-25(21-10-8-7-9-20(21)22)14-17-26(18-15-25)16-13-24(2,3)4;/h6-7,9-10,22,25-26H,8,11-21H2,1-5H3,(H,31,35);6-9,21H,5,10-18H2,1-4H3;7-10,22H,6,11-19H2,1-5H3;1H/t25-,26+;21-;22-;/m100./s1.
What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen?
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen has a molecular weight of 1322.93 g/mol, XLogP of 16.57, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-methoxyacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-3,3,3-trifluoropropanamide;(2S)-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide;molecular hydrogen is sourced from PubChem (CID 160799795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).