1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one

C16H28N2O2 — CID 127034985

IUPAC1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one
SMILESCCN(CC)CCC(=O)N1C(=O)CCC12CCCCC2
InChIInChI=1S/C16H28N2O2/c1-3-17(4-2)13-9-15(20)18-14(19)8-12-16(18)10-6-5-7-11-16/h3-13H2,1-2H3
InChIKeyJOUMEJDAVAUPIG-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.57
Rot. Bonds5

About 1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one

1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one (PubChem CID 127034985) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one
PubChem CID127034985
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one
SMILESCCN(CC)CCC(=O)N1C(=O)CCC12CCCCC2
InChIInChI=1S/C16H28N2O2/c1-3-17(4-2)13-9-15(20)18-14(19)8-12-16(18)10-6-5-7-11-16/h3-13H2,1-2H3
InChIKeyJOUMEJDAVAUPIG-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one (CID 127034985) is 1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one is CCN(CC)CCC(=O)N1C(=O)CCC12CCCCC2.
What is the InChIKey of 1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one?
The InChIKey is JOUMEJDAVAUPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-17(4-2)13-9-15(20)18-14(19)8-12-16(18)10-6-5-7-11-16/h3-13H2,1-2H3.
What are the key properties of 1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one?
1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one has a molecular weight of 280.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propanoyl]-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 127034985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).