[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone

C23H27FN2O2 — CID 91924989

IUPAC[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC2(CC1)CN(Cc1ccccc1)CC2CO
InChIInChI=1S/C23H27FN2O2/c24-21-9-5-4-8-20(21)22(28)26-12-10-23(11-13-26)17-25(15-19(23)16-27)14-18-6-2-1-3-7-18/h1-9,19,27H,10-17H2
InChIKeyKOPPPONQXNVSLS-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.17
Rot. Bonds4

About [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone

[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone (PubChem CID 91924989) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone
PubChem CID91924989
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC2(CC1)CN(Cc1ccccc1)CC2CO
InChIInChI=1S/C23H27FN2O2/c24-21-9-5-4-8-20(21)22(28)26-12-10-23(11-13-26)17-25(15-19(23)16-27)14-18-6-2-1-3-7-18/h1-9,19,27H,10-17H2
InChIKeyKOPPPONQXNVSLS-UHFFFAOYSA-N
XLogP3.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone (CID 91924989) is [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCC2(CC1)CN(Cc1ccccc1)CC2CO.
What is the InChIKey of [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone?
The InChIKey is KOPPPONQXNVSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c24-21-9-5-4-8-20(21)22(28)26-12-10-23(11-13-26)17-25(15-19(23)16-27)14-18-6-2-1-3-7-18/h1-9,19,27H,10-17H2.
What are the key properties of [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone?
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone has a molecular weight of 382.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 91924989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).