(5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one

C16H22N2O — CID 95711606

IUPAC(5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCc2ccccc2)CCC[C@@]12CCNC2
InChIInChI=1S/C16H22N2O/c19-15-16(9-10-17-13-16)8-4-11-18(15)12-7-14-5-2-1-3-6-14/h1-3,5-6,17H,4,7-13H2/t16-/m0/s1
InChIKeyGQXNHKWPZIGTMY-INIZCTEOSA-N
MW258.36 g/mol
LogP1.83
Rot. Bonds3

About (5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 95711606) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID95711606
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCc2ccccc2)CCC[C@@]12CCNC2
InChIInChI=1S/C16H22N2O/c19-15-16(9-10-17-13-16)8-4-11-18(15)12-7-14-5-2-1-3-6-14/h1-3,5-6,17H,4,7-13H2/t16-/m0/s1
InChIKeyGQXNHKWPZIGTMY-INIZCTEOSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56900937
7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56887747
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
2-[(2-iodophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 45074407
2-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
CID 97407980
2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 45074352
2-[(2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one;hydrochloride
CID 45074394
2-(cyclobutanecarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45238173
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
2-[(1-oxo-2,8-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 45074383
2-[(3-bromophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 45074340
2-[(3-nitrophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one;hydrochloride
CID 45074374

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 95711606) is (5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CCc2ccccc2)CCC[C@@]12CCNC2.
What is the InChIKey of (5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GQXNHKWPZIGTMY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O/c19-15-16(9-10-17-13-16)8-4-11-18(15)12-7-14-5-2-1-3-6-14/h1-3,5-6,17H,4,7-13H2/t16-/m0/s1.
What are the key properties of (5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 258.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 95711606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).