4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one

C20H29FN2O — CID 123813920

IUPAC4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCCCC(C)CN1CCC2(CC1)C(=O)NCC2c1ccc(F)cc1
InChIInChI=1S/C20H29FN2O/c1-3-4-15(2)14-23-11-9-20(10-12-23)18(13-22-19(20)24)16-5-7-17(21)8-6-16/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,22,24)
InChIKeySFMFWMJSYUELOZ-UHFFFAOYSA-N
MW332.46 g/mol
LogP3.56
Rot. Bonds5

About 4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one

4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 123813920) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID123813920
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCCCC(C)CN1CCC2(CC1)C(=O)NCC2c1ccc(F)cc1
InChIInChI=1S/C20H29FN2O/c1-3-4-15(2)14-23-11-9-20(10-12-23)18(13-22-19(20)24)16-5-7-17(21)8-6-16/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,22,24)
InChIKeySFMFWMJSYUELOZ-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one (CID 123813920) is 4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one is CCCC(C)CN1CCC2(CC1)C(=O)NCC2c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is SFMFWMJSYUELOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O/c1-3-4-15(2)14-23-11-9-20(10-12-23)18(13-22-19(20)24)16-5-7-17(21)8-6-16/h5-8,15,18H,3-4,9-14H2,1-2H3,(H,22,24).
What are the key properties of 4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one?
4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 332.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-(2-methylpentyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 123813920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).