(3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

C17H23FN2O — CID 3233481

IUPAC(3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCN1CCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1
InChIInChI=1S/C17H23FN2O/c1-19-9-3-6-17(13-19)7-10-20(11-8-17)16(21)14-4-2-5-15(18)12-14/h2,4-5,12H,3,6-11,13H2,1H3
InChIKeyFHRBEEYDMINPPC-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.77
Rot. Bonds1

About (3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone

(3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 3233481) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is (3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID3233481
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name(3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCN1CCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1
InChIInChI=1S/C17H23FN2O/c1-19-9-3-6-17(13-19)7-10-20(11-8-17)16(21)14-4-2-5-15(18)12-14/h2,4-5,12H,3,6-11,13H2,1H3
InChIKeyFHRBEEYDMINPPC-UHFFFAOYSA-N
XLogP2.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 3233481) is (3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is CN1CCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1.
What is the InChIKey of (3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is FHRBEEYDMINPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-19-9-3-6-17(13-19)7-10-20(11-8-17)16(21)14-4-2-5-15(18)12-14/h2,4-5,12H,3,6-11,13H2,1H3.
What are the key properties of (3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
(3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 290.38 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 3233481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).