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

C23H33FN2O — CID 11349288

IUPAC4-(4-fluorophenyl)-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)C1(N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C23H33FN2O/c1-17(2)23(10-4-3-5-11-23)26-14-12-22(13-15-26)20(16-25-21(22)27)18-6-8-19(24)9-7-18/h6-9,17,20H,3-5,10-16H2,1-2H3,(H,25,27)
InChIKeyWLNNXDHLQGPCSS-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.48
Rot. Bonds3

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

4-(4-fluorophenyl)-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11349288) has the molecular formula C23H33FN2O and a molecular weight of 372.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11349288
Molecular FormulaC23H33FN2O
Molecular Weight372.53 g/mol
Exact Mass372.26
IUPAC Name4-(4-fluorophenyl)-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)C1(N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C23H33FN2O/c1-17(2)23(10-4-3-5-11-23)26-14-12-22(13-15-26)20(16-25-21(22)27)18-6-8-19(24)9-7-18/h6-9,17,20H,3-5,10-16H2,1-2H3,(H,25,27)
InChIKeyWLNNXDHLQGPCSS-UHFFFAOYSA-N
XLogP4.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.48
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-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (CID 11349288) is 4-(4-fluorophenyl)-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is CC(C)C1(N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 4-(4-fluorophenyl)-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is WLNNXDHLQGPCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O/c1-17(2)23(10-4-3-5-11-23)26-14-12-22(13-15-26)20(16-25-21(22)27)18-6-8-19(24)9-7-18/h6-9,17,20H,3-5,10-16H2,1-2H3,(H,25,27).
What are the key properties of 4-(4-fluorophenyl)-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
4-(4-fluorophenyl)-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 372.53 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11349288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).