N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide

C23H24FN3O2 — CID 67846045

IUPACN-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide
SMILESO=C(NC1CC2COCC(C1)N2Cc1ccc(F)cc1)n1ccc2ccccc21
InChIInChI=1S/C23H24FN3O2/c24-18-7-5-16(6-8-18)13-27-20-11-19(12-21(27)15-29-14-20)25-23(28)26-10-9-17-3-1-2-4-22(17)26/h1-10,19-21H,11-15H2,(H,25,28)
InChIKeyXRXYHIAPJNJGEV-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.77
Rot. Bonds3

About N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide

N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide (PubChem CID 67846045) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide.

Molecular Properties

Compound NameN-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide
PubChem CID67846045
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide
SMILESO=C(NC1CC2COCC(C1)N2Cc1ccc(F)cc1)n1ccc2ccccc21
InChIInChI=1S/C23H24FN3O2/c24-18-7-5-16(6-8-18)13-27-20-11-19(12-21(27)15-29-14-20)25-23(28)26-10-9-17-3-1-2-4-22(17)26/h1-10,19-21H,11-15H2,(H,25,28)
InChIKeyXRXYHIAPJNJGEV-UHFFFAOYSA-N
XLogP3.77
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,5S)-9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 67845888
N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-[(E)-prop-1-enyl]indazole-3-carboxamide
CID 139648322
N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-prop-1-enylindazole-3-carboxamide
CID 67845979
N-cyclopentylindole-1-carboxamide
CID 141083697
(1R,5S)-9-benzyl-N-(4-fluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 58946767
N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide
CID 20522626
2-chloro-N-[8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 68822844
9-benzyl-7-(4-fluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171965074
N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]cyclopropanecarboxamide
CID 43813930
1-benzyl-3-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 3217267
N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-methylindazole-3-carboxamide
CID 67845877
N-[(1R,5R)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methylbenzamide
CID 98110207

Frequently Asked Questions

What is the IUPAC name of N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide?
The IUPAC name of N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide (CID 67846045) is N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide.
What is the SMILES notation for N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide?
The canonical SMILES for N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide is O=C(NC1CC2COCC(C1)N2Cc1ccc(F)cc1)n1ccc2ccccc21.
What is the InChIKey of N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide?
The InChIKey is XRXYHIAPJNJGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-18-7-5-16(6-8-18)13-27-20-11-19(12-21(27)15-29-14-20)25-23(28)26-10-9-17-3-1-2-4-22(17)26/h1-10,19-21H,11-15H2,(H,25,28).
What are the key properties of N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide?
N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-1-carboxamide is sourced from PubChem (CID 67846045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).