4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one

C24H30N2OS — CID 11188596

IUPAC4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccccc2)C12CCN(C1(c3ccsc3)CCCCC1)CC2
InChIInChI=1S/C24H30N2OS/c27-22-23(21(17-25-22)19-7-3-1-4-8-19)12-14-26(15-13-23)24(10-5-2-6-11-24)20-9-16-28-18-20/h1,3-4,7-9,16,18,21H,2,5-6,10-15,17H2,(H,25,27)
InChIKeyNBJDNDWRDUFHFJ-UHFFFAOYSA-N
MW394.58 g/mol
LogP4.90
Rot. Bonds3

About 4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one

4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11188596) has the molecular formula C24H30N2OS and a molecular weight of 394.58 g/mol. Its IUPAC name is 4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11188596
Molecular FormulaC24H30N2OS
Molecular Weight394.58 g/mol
Exact Mass394.21
IUPAC Name4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccccc2)C12CCN(C1(c3ccsc3)CCCCC1)CC2
InChIInChI=1S/C24H30N2OS/c27-22-23(21(17-25-22)19-7-3-1-4-8-19)12-14-26(15-13-23)24(10-5-2-6-11-24)20-9-16-28-18-20/h1,3-4,7-9,16,18,21H,2,5-6,10-15,17H2,(H,25,27)
InChIKeyNBJDNDWRDUFHFJ-UHFFFAOYSA-N
XLogP4.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.58
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (CID 11188596) is 4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1NCC(c2ccccc2)C12CCN(C1(c3ccsc3)CCCCC1)CC2.
What is the InChIKey of 4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NBJDNDWRDUFHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2OS/c27-22-23(21(17-25-22)19-7-3-1-4-8-19)12-14-26(15-13-23)24(10-5-2-6-11-24)20-9-16-28-18-20/h1,3-4,7-9,16,18,21H,2,5-6,10-15,17H2,(H,25,27).
What are the key properties of 4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 394.58 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-8-(1-thiophen-3-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11188596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).