1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one

C23H29FN2O — CID 59614262

IUPAC1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one
SMILESCC(=O)CN1CC2(CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H29FN2O/c1-16(27)13-26-15-23(21-12-20(24)4-5-22(21)26)6-8-25(9-7-23)14-19-11-17-2-3-18(19)10-17/h2-5,12,17-19H,6-11,13-15H2,1H3/t17-,18+,19+/m0/s1
InChIKeyUDAXUTUEIISSDE-IPMKNSEASA-N
MW368.50 g/mol
LogP3.78
Rot. Bonds4

About 1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one

1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one (PubChem CID 59614262) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one
PubChem CID59614262
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one
SMILESCC(=O)CN1CC2(CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H29FN2O/c1-16(27)13-26-15-23(21-12-20(24)4-5-22(21)26)6-8-25(9-7-23)14-19-11-17-2-3-18(19)10-17/h2-5,12,17-19H,6-11,13-15H2,1H3/t17-,18+,19+/m0/s1
InChIKeyUDAXUTUEIISSDE-IPMKNSEASA-N
XLogP3.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one?
The IUPAC name of 1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one (CID 59614262) is 1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one.
What is the SMILES notation for 1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one?
The canonical SMILES for 1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one is CC(=O)CN1CC2(CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one?
The InChIKey is UDAXUTUEIISSDE-IPMKNSEASA-N. The full InChI is InChI=1S/C23H29FN2O/c1-16(27)13-26-15-23(21-12-20(24)4-5-22(21)26)6-8-25(9-7-23)14-19-11-17-2-3-18(19)10-17/h2-5,12,17-19H,6-11,13-15H2,1H3/t17-,18+,19+/m0/s1.
What are the key properties of 1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one?
1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one has a molecular weight of 368.50 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one is sourced from PubChem (CID 59614262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).