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

C20H27FN2O — CID 97385517

IUPACcyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(C1CC1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C20H27FN2O/c21-18-3-1-2-16(14-18)15-22-10-6-20(7-11-22)8-12-23(13-9-20)19(24)17-4-5-17/h1-3,14,17H,4-13,15H2
InChIKeyBYFBHSHQRWPJBJ-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.44
Rot. Bonds3

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

cyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 97385517) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is cyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID97385517
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Namecyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(C1CC1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C20H27FN2O/c21-18-3-1-2-16(14-18)15-22-10-6-20(7-11-22)8-12-23(13-9-20)19(24)17-4-5-17/h1-3,14,17H,4-13,15H2
InChIKeyBYFBHSHQRWPJBJ-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of cyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 97385517) is cyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for cyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone is O=C(C1CC1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1.
What is the InChIKey of cyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is BYFBHSHQRWPJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O/c21-18-3-1-2-16(14-18)15-22-10-6-20(7-11-22)8-12-23(13-9-20)19(24)17-4-5-17/h1-3,14,17H,4-13,15H2.
What are the key properties of cyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
cyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 330.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[9-[(3-fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 97385517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).