2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one

C16H22N2O — CID 71060331

IUPAC2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCCN1CC(c2ccccc2)C2(CCCNC2)C1=O
InChIInChI=1S/C16H22N2O/c1-2-18-11-14(13-7-4-3-5-8-13)16(15(18)19)9-6-10-17-12-16/h3-5,7-8,14,17H,2,6,9-12H2,1H3
InChIKeyRPHPLHJMDGQLLG-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.00
Rot. Bonds2

About 2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one

2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 71060331) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID71060331
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCCN1CC(c2ccccc2)C2(CCCNC2)C1=O
InChIInChI=1S/C16H22N2O/c1-2-18-11-14(13-7-4-3-5-8-13)16(15(18)19)9-6-10-17-12-16/h3-5,7-8,14,17H,2,6,9-12H2,1H3
InChIKeyRPHPLHJMDGQLLG-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one (CID 71060331) is 2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one is CCN1CC(c2ccccc2)C2(CCCNC2)C1=O.
What is the InChIKey of 2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is RPHPLHJMDGQLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-18-11-14(13-7-4-3-5-8-13)16(15(18)19)9-6-10-17-12-16/h3-5,7-8,14,17H,2,6,9-12H2,1H3.
What are the key properties of 2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one?
2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 71060331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).