2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone

C14H17FN2O — CID 82038235

IUPAC2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC2(CCNC2)C1
InChIInChI=1S/C14H17FN2O/c15-12-4-2-1-3-11(12)13(18)17-8-6-14(10-17)5-7-16-9-14/h1-4,16H,5-10H2
InChIKeyCTLFAYQSJASIIN-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.65
Rot. Bonds1

About 2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone

2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone (PubChem CID 82038235) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone
PubChem CID82038235
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC2(CCNC2)C1
InChIInChI=1S/C14H17FN2O/c15-12-4-2-1-3-11(12)13(18)17-8-6-14(10-17)5-7-16-9-14/h1-4,16H,5-10H2
InChIKeyCTLFAYQSJASIIN-UHFFFAOYSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 588246
N-(2-(Diethylamino)ethyl)benzamide
CID 19400
N-(2-(Dimethylamino)ethyl)benzamide
CID 113158
N-Allylbenzamide
CID 307242
N-(2-aminoethyl)benzamide
CID 423156
4-fluoro-N-phenethylbenzamide
CID 745660
4-fluoro-N-(3-phenylpropyl)benzamide
CID 2164200

Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone?
The IUPAC name of 2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone (CID 82038235) is 2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone.
What is the SMILES notation for 2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone?
The canonical SMILES for 2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCC2(CCNC2)C1.
What is the InChIKey of 2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone?
The InChIKey is CTLFAYQSJASIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-12-4-2-1-3-11(12)13(18)17-8-6-14(10-17)5-7-16-9-14/h1-4,16H,5-10H2.
What are the key properties of 2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone?
2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone has a molecular weight of 248.30 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone is sourced from PubChem (CID 82038235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).