8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one

C27H29FN2O — CID 71449695

IUPAC8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CCc2ccccc2)CCC12CCN(Cc1ccc3cc(F)ccc3c1)CC2
InChIInChI=1S/C27H29FN2O/c28-25-9-8-23-18-22(6-7-24(23)19-25)20-29-15-11-27(12-16-29)13-17-30(26(27)31)14-10-21-4-2-1-3-5-21/h1-9,18-19H,10-17,20H2
InChIKeyXVMZVYIOOMUWAM-UHFFFAOYSA-N
MW416.54 g/mol
LogP5.04
Rot. Bonds5

About 8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one

8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 71449695) has the molecular formula C27H29FN2O and a molecular weight of 416.54 g/mol. Its IUPAC name is 8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID71449695
Molecular FormulaC27H29FN2O
Molecular Weight416.54 g/mol
Exact Mass416.23
IUPAC Name8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CCc2ccccc2)CCC12CCN(Cc1ccc3cc(F)ccc3c1)CC2
InChIInChI=1S/C27H29FN2O/c28-25-9-8-23-18-22(6-7-24(23)19-25)20-29-15-11-27(12-16-29)13-17-30(26(27)31)14-10-21-4-2-1-3-5-21/h1-9,18-19H,10-17,20H2
InChIKeyXVMZVYIOOMUWAM-UHFFFAOYSA-N
XLogP5.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 773342
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CID 2903395
N-{1-[(6-Fluoro-2-naphthyl)methyl]piperidin-4-yl}-2-phenylacetamide
CID 45273705
N,N-diethyl-1-(2-naphthylmethyl)-3-piperidinecarboxamide
CID 2838328
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CID 16060557
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CID 44417840
N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 71449695) is 8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1N(CCc2ccccc2)CCC12CCN(Cc1ccc3cc(F)ccc3c1)CC2.
What is the InChIKey of 8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is XVMZVYIOOMUWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O/c28-25-9-8-23-18-22(6-7-24(23)19-25)20-29-15-11-27(12-16-29)13-17-30(26(27)31)14-10-21-4-2-1-3-5-21/h1-9,18-19H,10-17,20H2.
What are the key properties of 8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one?
8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 416.54 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-fluoronaphthalen-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 71449695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).