1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one

C16H23N3O — CID 21493483

IUPAC1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(C)N1CN(c2ccccc2)C2(CCNCC2)C1=O
InChIInChI=1S/C16H23N3O/c1-13(2)18-12-19(14-6-4-3-5-7-14)16(15(18)20)8-10-17-11-9-16/h3-7,13,17H,8-12H2,1-2H3
InChIKeyBBAFGEPFHHSVIN-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.82
Rot. Bonds2

About 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one

1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 21493483) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID21493483
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC(C)N1CN(c2ccccc2)C2(CCNCC2)C1=O
InChIInChI=1S/C16H23N3O/c1-13(2)18-12-19(14-6-4-3-5-7-14)16(15(18)20)8-10-17-11-9-16/h3-7,13,17H,8-12H2,1-2H3
InChIKeyBBAFGEPFHHSVIN-UHFFFAOYSA-N
XLogP1.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one (CID 21493483) is 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one is CC(C)N1CN(c2ccccc2)C2(CCNCC2)C1=O.
What is the InChIKey of 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is BBAFGEPFHHSVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)18-12-19(14-6-4-3-5-7-14)16(15(18)20)8-10-17-11-9-16/h3-7,13,17H,8-12H2,1-2H3.
What are the key properties of 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one?
1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 273.38 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 21493483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).