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

C24H36FN3O2 — CID 24876005

IUPAC2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)NCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H36FN3O2/c1-17(29)26-16-22(30)27-21-7-8-24(20-15-18(25)5-6-19(20)21)10-13-28(14-11-24)12-9-23(2,3)4/h5-6,15,21H,7-14,16H2,1-4H3,(H,26,29)(H,27,30)/t21-/m0/s1
InChIKeyRXIUTVKVRHDZDR-NRFANRHFSA-N
MW417.57 g/mol
LogP3.68
Rot. Bonds5

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

2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 24876005) has the molecular formula C24H36FN3O2 and a molecular weight of 417.57 g/mol. Its IUPAC name is 2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
PubChem CID24876005
Molecular FormulaC24H36FN3O2
Molecular Weight417.57 g/mol
Exact Mass417.28
IUPAC Name2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)NCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H36FN3O2/c1-17(29)26-16-22(30)27-21-7-8-24(20-15-18(25)5-6-19(20)21)10-13-28(14-11-24)12-9-23(2,3)4/h5-6,15,21H,7-14,16H2,1-4H3,(H,26,29)(H,27,30)/t21-/m0/s1
InChIKeyRXIUTVKVRHDZDR-NRFANRHFSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.57
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 157289494
N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide
CID 24875818
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
N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 58033739
N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen
CID 158785617
(2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen
CID 158382899
(2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen
CID 158382901
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159541063
N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159541064
(3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide
CID 24876671
N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(oxan-4-yl)acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-oxopentanamide;1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one;molecular hydrogen
CID 158000047
(2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide
CID 58033881

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The IUPAC name of 2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (CID 24876005) is 2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for 2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is CC(=O)NCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.
What is the InChIKey of 2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The InChIKey is RXIUTVKVRHDZDR-NRFANRHFSA-N. The full InChI is InChI=1S/C24H36FN3O2/c1-17(29)26-16-22(30)27-21-7-8-24(20-15-18(25)5-6-19(20)21)10-13-28(14-11-24)12-9-23(2,3)4/h5-6,15,21H,7-14,16H2,1-4H3,(H,26,29)(H,27,30)/t21-/m0/s1.
What are the key properties of 2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 417.57 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 24876005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).