1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one

C17H24N2O — CID 26336960

IUPAC1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C17H24N2O/c1-18-16(20)7-9-17(18)10-13-19(14-11-17)12-8-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyATWQTXXEVIOOPE-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.32
Rot. Bonds3

About 1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one

1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 26336960) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID26336960
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C17H24N2O/c1-18-16(20)7-9-17(18)10-13-19(14-11-17)12-8-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyATWQTXXEVIOOPE-UHFFFAOYSA-N
XLogP2.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 26336960) is 1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CCC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ATWQTXXEVIOOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-18-16(20)7-9-17(18)10-13-19(14-11-17)12-8-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3.
What are the key properties of 1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 272.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 26336960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).