5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone

C19H25FN2O — CID 154864233

IUPAC5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CC12CCNC2)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H25FN2O/c20-16-3-1-2-15(11-16)10-14-4-8-22(9-5-14)18(23)17-12-19(17)6-7-21-13-19/h1-3,11,14,17,21H,4-10,12-13H2
InChIKeyNEIGWXSMFFJVSA-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.61
Rot. Bonds3

About 5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone

5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone (PubChem CID 154864233) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
PubChem CID154864233
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(C1CC12CCNC2)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H25FN2O/c20-16-3-1-2-15(11-16)10-14-4-8-22(9-5-14)18(23)17-12-19(17)6-7-21-13-19/h1-3,11,14,17,21H,4-10,12-13H2
InChIKeyNEIGWXSMFFJVSA-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119296749
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 119296735
(1-aminocyclopentyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 119296753
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763
(1-aminocyclohexyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 119296760
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 119736886
5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136554321
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 76868299
2,2,2-trifluoro-1-[(3S)-3-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 90117452
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
CID 71938369

Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of 5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone (CID 154864233) is 5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone is O=C(C1CC12CCNC2)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of 5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is NEIGWXSMFFJVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c20-16-3-1-2-15(11-16)10-14-4-8-22(9-5-14)18(23)17-12-19(17)6-7-21-13-19/h1-3,11,14,17,21H,4-10,12-13H2.
What are the key properties of 5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone?
5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 316.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 154864233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).