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

C22H25FN2O — CID 3232618

IUPAC(3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccccc1)CC2
InChIInChI=1S/C22H25FN2O/c23-19-6-4-5-18(17-19)21(26)25-15-11-22(12-16-25)9-13-24(14-10-22)20-7-2-1-3-8-20/h1-8,17H,9-16H2
InChIKeyMACVNKLDGVMIRJ-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.35
Rot. Bonds2

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

(3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (PubChem CID 3232618) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is (3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
PubChem CID3232618
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name(3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccccc1)CC2
InChIInChI=1S/C22H25FN2O/c23-19-6-4-5-18(17-19)21(26)25-15-11-22(12-16-25)9-13-24(14-10-22)20-7-2-1-3-8-20/h1-8,17H,9-16H2
InChIKeyMACVNKLDGVMIRJ-UHFFFAOYSA-N
XLogP4.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (CID 3232618) is (3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccccc1)CC2.
What is the InChIKey of (3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is MACVNKLDGVMIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-19-6-4-5-18(17-19)21(26)25-15-11-22(12-16-25)9-13-24(14-10-22)20-7-2-1-3-8-20/h1-8,17H,9-16H2.
What are the key properties of (3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
(3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 352.45 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(9-phenyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 3232618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).