1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one

C17H22N2O2 — CID 162637914

IUPAC1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccccc1CC(=O)N1CCCC12CCCNC2=O
InChIInChI=1S/C17H22N2O2/c1-13-6-2-3-7-14(13)12-15(20)19-11-5-9-17(19)8-4-10-18-16(17)21/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,21)
InChIKeySNIMUZOVEVCTRY-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.81
Rot. Bonds2

About 1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one

1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162637914) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162637914
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccccc1CC(=O)N1CCCC12CCCNC2=O
InChIInChI=1S/C17H22N2O2/c1-13-6-2-3-7-14(13)12-15(20)19-11-5-9-17(19)8-4-10-18-16(17)21/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,21)
InChIKeySNIMUZOVEVCTRY-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162637914) is 1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one is Cc1ccccc1CC(=O)N1CCCC12CCCNC2=O.
What is the InChIKey of 1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is SNIMUZOVEVCTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-6-2-3-7-14(13)12-15(20)19-11-5-9-17(19)8-4-10-18-16(17)21/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,21).
What are the key properties of 1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 286.38 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162637914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).