N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C23H24FN3O — CID 126463005

IUPACN-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CC12CCN(Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C23H24FN3O/c24-17-4-3-5-18(12-17)26-22(28)20-13-23(20)8-10-27(11-9-23)15-16-14-25-21-7-2-1-6-19(16)21/h1-7,12,14,20,25H,8-11,13,15H2,(H,26,28)
InChIKeyQEKIGLAKRGCCQK-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.55
Rot. Bonds4

About N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126463005) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126463005
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC NameN-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CC12CCN(Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C23H24FN3O/c24-17-4-3-5-18(12-17)26-22(28)20-13-23(20)8-10-27(11-9-23)15-16-14-25-21-7-2-1-6-19(16)21/h1-7,12,14,20,25H,8-11,13,15H2,(H,26,28)
InChIKeyQEKIGLAKRGCCQK-UHFFFAOYSA-N
XLogP4.55
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid
CID 131663328
1-(1H-indol-3-ylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 65065153
2-[2-[(3-fluorophenyl)carbamoyl]-5-azaspiro[2.4]heptan-5-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 155853980
6-[(6-chloro-4-oxochromen-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45208093
(2S,3S)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492919
(2S,3R)-5-benzoyl-N-(3-fluorophenyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492920
N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397486
2-N-(3-fluorophenyl)-5-N-[(3-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646523
(2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97396709
(1R,5R,6R,7S)-N-(3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 99980579
(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(3-fluorophenyl)methyl]-1-(1H-indol-3-ylmethyl)piperidine-3,5-dicarboxamide
CID 56859073
N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049315

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 126463005) is N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(Nc1cccc(F)c1)C1CC12CCN(Cc1c[nH]c3ccccc13)CC2.
What is the InChIKey of N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is QEKIGLAKRGCCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-17-4-3-5-18(12-17)26-22(28)20-13-23(20)8-10-27(11-9-23)15-16-14-25-21-7-2-1-6-19(16)21/h1-7,12,14,20,25H,8-11,13,15H2,(H,26,28).
What are the key properties of N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-(1H-indol-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126463005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).