N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide

C25H37FN2O2 — CID 24876753

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C25H37FN2O2/c1-18(29)5-8-23(30)27-22-9-10-25(21-17-19(26)6-7-20(21)22)12-15-28(16-13-25)14-11-24(2,3)4/h6-7,17,22H,5,8-16H2,1-4H3,(H,27,30)/t22-/m0/s1
InChIKeyUUSCSEZRTVJNPU-QFIPXVFZSA-N
MW416.58 g/mol
LogP4.92
Rot. Bonds6

About N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide

N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide (PubChem CID 24876753) has the molecular formula C25H37FN2O2 and a molecular weight of 416.58 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide
PubChem CID24876753
Molecular FormulaC25H37FN2O2
Molecular Weight416.58 g/mol
Exact Mass416.28
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C25H37FN2O2/c1-18(29)5-8-23(30)27-22-9-10-25(21-17-19(26)6-7-20(21)22)12-15-28(16-13-25)14-11-24(2,3)4/h6-7,17,22H,5,8-16H2,1-4H3,(H,27,30)/t22-/m0/s1
InChIKeyUUSCSEZRTVJNPU-QFIPXVFZSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.58
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide (CID 24876753) is N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide is CC(=O)CCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.
What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide?
The InChIKey is UUSCSEZRTVJNPU-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H37FN2O2/c1-18(29)5-8-23(30)27-22-9-10-25(21-17-19(26)6-7-20(21)22)12-15-28(16-13-25)14-11-24(2,3)4/h6-7,17,22H,5,8-16H2,1-4H3,(H,27,30)/t22-/m0/s1.
What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide?
N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide has a molecular weight of 416.58 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide is sourced from PubChem (CID 24876753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).