ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate

C17H21ClN2O3 — CID 123841281

IUPACethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate
SMILESCCOC(=O)N1CN(c2ccc(Cl)cc2)C2(CCCCC2)C1=O
InChIInChI=1S/C17H21ClN2O3/c1-2-23-16(22)19-12-20(14-8-6-13(18)7-9-14)17(15(19)21)10-4-3-5-11-17/h6-9H,2-5,10-12H2,1H3
InChIKeyWKNGFRAZKSOYKK-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.81
Rot. Bonds2

About ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate

ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate (PubChem CID 123841281) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate
PubChem CID123841281
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Nameethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate
SMILESCCOC(=O)N1CN(c2ccc(Cl)cc2)C2(CCCCC2)C1=O
InChIInChI=1S/C17H21ClN2O3/c1-2-23-16(22)19-12-20(14-8-6-13(18)7-9-14)17(15(19)21)10-4-3-5-11-17/h6-9H,2-5,10-12H2,1H3
InChIKeyWKNGFRAZKSOYKK-UHFFFAOYSA-N
XLogP3.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate (CID 123841281) is ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate is CCOC(=O)N1CN(c2ccc(Cl)cc2)C2(CCCCC2)C1=O.
What is the InChIKey of ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate?
The InChIKey is WKNGFRAZKSOYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-2-23-16(22)19-12-20(14-8-6-13(18)7-9-14)17(15(19)21)10-4-3-5-11-17/h6-9H,2-5,10-12H2,1H3.
What are the key properties of ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate?
ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate has a molecular weight of 336.82 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 123841281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).