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

C21H29FN2O — CID 97450358

IUPACcyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(C1CCC1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C21H29FN2O/c22-19-6-1-3-17(15-19)16-23-11-7-21(8-12-23)9-13-24(14-10-21)20(25)18-4-2-5-18/h1,3,6,15,18H,2,4-5,7-14,16H2
InChIKeyXBDFVXVAMGEIRQ-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.83
Rot. Bonds3

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

cyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 97450358) has the molecular formula C21H29FN2O and a molecular weight of 344.47 g/mol. Its IUPAC name is cyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID97450358
Molecular FormulaC21H29FN2O
Molecular Weight344.47 g/mol
Exact Mass344.23
IUPAC Namecyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(C1CCC1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C21H29FN2O/c22-19-6-1-3-17(15-19)16-23-11-7-21(8-12-23)9-13-24(14-10-21)20(25)18-4-2-5-18/h1,3,6,15,18H,2,4-5,7-14,16H2
InChIKeyXBDFVXVAMGEIRQ-UHFFFAOYSA-N
XLogP3.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of cyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 97450358) is cyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for cyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for cyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone is O=C(C1CCC1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1.
What is the InChIKey of cyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is XBDFVXVAMGEIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O/c22-19-6-1-3-17(15-19)16-23-11-7-21(8-12-23)9-13-24(14-10-21)20(25)18-4-2-5-18/h1,3,6,15,18H,2,4-5,7-14,16H2.
What are the key properties of cyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
cyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 344.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 97450358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).