(4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one

C15H19NO2 — CID 125451516

IUPAC(4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one
SMILESCOc1ccc([C@@H]2CNC(=O)C23CCCC3)cc1
InChIInChI=1S/C15H19NO2/c1-18-12-6-4-11(5-7-12)13-10-16-14(17)15(13)8-2-3-9-15/h4-7,13H,2-3,8-10H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyCQLVVDXQDZNDQI-ZDUSSCGKSA-N
MW245.32 g/mol
LogP2.47
Rot. Bonds2

About (4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one

(4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one (PubChem CID 125451516) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one
PubChem CID125451516
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one
SMILESCOc1ccc([C@@H]2CNC(=O)C23CCCC3)cc1
InChIInChI=1S/C15H19NO2/c1-18-12-6-4-11(5-7-12)13-10-16-14(17)15(13)8-2-3-9-15/h4-7,13H,2-3,8-10H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyCQLVVDXQDZNDQI-ZDUSSCGKSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
CID 125450834
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930
(2R)-2-(4-methoxyphenyl)-1,4-diazaspiro[4.4]nonan-3-one
CID 97179322
2-(4-methoxyphenyl)-1-oxaspiro[4.5]decan-4-one
CID 71394804
5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
CID 82367269
(5S)-5-(4-methoxyphenyl)piperazin-2-one
CID 124546630
5-(4-methoxyphenyl)piperidine-2,4-dione
CID 139466443
3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
ethane;3-(4-methoxyphenyl)-1,4-diazepan-2-one
CID 171840578
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
5-(4-methoxyphenyl)-3-methyl-1-oxa-3-azaspiro[5.5]undecane
CID 2817659
1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one
CID 66367641

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one?
The IUPAC name of (4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one (CID 125451516) is (4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one.
What is the SMILES notation for (4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one?
The canonical SMILES for (4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one is COc1ccc([C@@H]2CNC(=O)C23CCCC3)cc1.
What is the InChIKey of (4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one?
The InChIKey is CQLVVDXQDZNDQI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-12-6-4-11(5-7-12)13-10-16-14(17)15(13)8-2-3-9-15/h4-7,13H,2-3,8-10H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one?
(4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one has a molecular weight of 245.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one is sourced from PubChem (CID 125451516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).