N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen

C73H113FN6O7 — CID 159803006

IUPACN-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen
SMILESCC(=O)CCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)CC3CCCC3=O)c3ccc(F)cc32)CC1.COC(=O)CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H39FN2O2.C25H38N2O2.C21H30N2O3.3H2/c1-26(2,3)11-14-30-15-12-27(13-16-30)10-9-23(21-8-7-20(28)18-22(21)27)29-25(32)17-19-5-4-6-24(19)31;1-19(28)9-10-23(29)26-22-11-12-25(21-8-6-5-7-20(21)22)14-17-27(18-15-25)16-13-24(2,3)4;1-16(24)22-19-9-10-21(18-7-4-3-6-17(18)19)11-14-23(15-12-21)13-5-8-20(25)26-2;;;/h7-8,18-19,23H,4-6,9-17H2,1-3H3,(H,29,32);5-8,22H,9-18H2,1-4H3,(H,26,29);3-4,6-7,19H,5,8-15H2,1-2H3,(H,22,24);3*1H/t19?,23-;22-;19-;;;/m100.../s1
InChIKeyNKANXIDTSWFKBY-PBKZGCOSSA-N
MW1205.74 g/mol
LogP13.77
Rot. Bonds16

About N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen

N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen (PubChem CID 159803006) has the molecular formula C73H113FN6O7 and a molecular weight of 1205.74 g/mol. Its IUPAC name is N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen.

Molecular Properties

Compound NameN-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen
PubChem CID159803006
Molecular FormulaC73H113FN6O7
Molecular Weight1205.74 g/mol
Exact Mass1204.87
IUPAC NameN-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen
SMILESCC(=O)CCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)CC3CCCC3=O)c3ccc(F)cc32)CC1.COC(=O)CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H39FN2O2.C25H38N2O2.C21H30N2O3.3H2/c1-26(2,3)11-14-30-15-12-27(13-16-30)10-9-23(21-8-7-20(28)18-22(21)27)29-25(32)17-19-5-4-6-24(19)31;1-19(28)9-10-23(29)26-22-11-12-25(21-8-6-5-7-20(21)22)14-17-27(18-15-25)16-13-24(2,3)4;1-16(24)22-19-9-10-21(18-7-4-3-6-17(18)19)11-14-23(15-12-21)13-5-8-20(25)26-2;;;/h7-8,18-19,23H,4-6,9-17H2,1-3H3,(H,29,32);5-8,22H,9-18H2,1-4H3,(H,26,29);3-4,6-7,19H,5,8-15H2,1-2H3,(H,22,24);3*1H/t19?,23-;22-;19-;;;/m100.../s1
InChIKeyNKANXIDTSWFKBY-PBKZGCOSSA-N
XLogP13.77
TPSA157.46 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.74
LogP ≤ 513.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen?
The IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen (CID 159803006) is N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen.
What is the SMILES notation for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen?
The canonical SMILES for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen is CC(=O)CCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)CC3CCCC3=O)c3ccc(F)cc32)CC1.COC(=O)CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen?
The InChIKey is NKANXIDTSWFKBY-PBKZGCOSSA-N. The full InChI is InChI=1S/C27H39FN2O2.C25H38N2O2.C21H30N2O3.3H2/c1-26(2,3)11-14-30-15-12-27(13-16-30)10-9-23(21-8-7-20(28)18-22(21)27)29-25(32)17-19-5-4-6-24(19)31;1-19(28)9-10-23(29)26-22-11-12-25(21-8-6-5-7-20(21)22)14-17-27(18-15-25)16-13-24(2,3)4;1-16(24)22-19-9-10-21(18-7-4-3-6-17(18)19)11-14-23(15-12-21)13-5-8-20(25)26-2;;;/h7-8,18-19,23H,4-6,9-17H2,1-3H3,(H,29,32);5-8,22H,9-18H2,1-4H3,(H,26,29);3-4,6-7,19H,5,8-15H2,1-2H3,(H,22,24);3*1H/t19?,23-;22-;19-;;;/m100.../s1.
What are the key properties of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen?
N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen has a molecular weight of 1205.74 g/mol, XLogP of 13.77, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxocyclopentyl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen is sourced from PubChem (CID 159803006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).