2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one

C16H21ClN2O2 — CID 83246999

IUPAC2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCOCCN1C(=O)C2(CCCC2)NC1c1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-21-10-9-19-14(12-5-4-6-13(17)11-12)18-16(15(19)20)7-2-3-8-16/h4-6,11,14,18H,2-3,7-10H2,1H3
InChIKeyORDVQBFKUDXJFG-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.73
Rot. Bonds4

About 2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one

2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83246999) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83246999
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCOCCN1C(=O)C2(CCCC2)NC1c1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-21-10-9-19-14(12-5-4-6-13(17)11-12)18-16(15(19)20)7-2-3-8-16/h4-6,11,14,18H,2-3,7-10H2,1H3
InChIKeyORDVQBFKUDXJFG-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83246999) is 2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one is COCCN1C(=O)C2(CCCC2)NC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is ORDVQBFKUDXJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-21-10-9-19-14(12-5-4-6-13(17)11-12)18-16(15(19)20)7-2-3-8-16/h4-6,11,14,18H,2-3,7-10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one?
2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 308.81 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83246999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).