3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen

C25H42FN3O2 — CID 161071781

IUPAC3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen
SMILESCC(=O)NCCC(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.[H][H].[H][H]
InChIInChI=1S/C25H38FN3O2.2H2/c1-18(30)27-13-8-23(31)28-22-7-9-25(21-17-19(26)5-6-20(21)22)11-15-29(16-12-25)14-10-24(2,3)4;;/h5-6,17,22H,7-16H2,1-4H3,(H,27,30)(H,28,31);2*1H/t22-;;/m1../s1
InChIKeyUETGPKLYSCHDTB-GJICFQLNSA-N
MW435.63 g/mol
LogP4.56
Rot. Bonds6

About 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen

3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen (PubChem CID 161071781) has the molecular formula C25H42FN3O2 and a molecular weight of 435.63 g/mol. Its IUPAC name is 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen.

Molecular Properties

Compound Name3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen
PubChem CID161071781
Molecular FormulaC25H42FN3O2
Molecular Weight435.63 g/mol
Exact Mass435.33
IUPAC Name3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen
SMILESCC(=O)NCCC(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.[H][H].[H][H]
InChIInChI=1S/C25H38FN3O2.2H2/c1-18(30)27-13-8-23(31)28-22-7-9-25(21-17-19(26)5-6-20(21)22)11-15-29(16-12-25)14-10-24(2,3)4;;/h5-6,17,22H,7-16H2,1-4H3,(H,27,30)(H,28,31);2*1H/t22-;;/m1../s1
InChIKeyUETGPKLYSCHDTB-GJICFQLNSA-N
XLogP4.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen?
The IUPAC name of 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen (CID 161071781) is 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen.
What is the SMILES notation for 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen?
The canonical SMILES for 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen is CC(=O)NCCC(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.[H][H].[H][H].
What is the InChIKey of 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen?
The InChIKey is UETGPKLYSCHDTB-GJICFQLNSA-N. The full InChI is InChI=1S/C25H38FN3O2.2H2/c1-18(30)27-13-8-23(31)28-22-7-9-25(21-17-19(26)5-6-20(21)22)11-15-29(16-12-25)14-10-24(2,3)4;;/h5-6,17,22H,7-16H2,1-4H3,(H,27,30)(H,28,31);2*1H/t22-;;/m1../s1.
What are the key properties of 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen?
3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen has a molecular weight of 435.63 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;molecular hydrogen is sourced from PubChem (CID 161071781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).