methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

C19H24F2N2O3 — CID 45178498

IUPACmethyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCN1C(=O)CC(C(=O)OC)C12CCN(Cc1ccc(F)c(F)c1)CC2
InChIInChI=1S/C19H24F2N2O3/c1-3-23-17(24)11-14(18(25)26-2)19(23)6-8-22(9-7-19)12-13-4-5-15(20)16(21)10-13/h4-5,10,14H,3,6-9,11-12H2,1-2H3
InChIKeySIHITMIGTVWWPX-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.34
Rot. Bonds4

About methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 45178498) has the molecular formula C19H24F2N2O3 and a molecular weight of 366.41 g/mol. Its IUPAC name is methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID45178498
Molecular FormulaC19H24F2N2O3
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Namemethyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCN1C(=O)CC(C(=O)OC)C12CCN(Cc1ccc(F)c(F)c1)CC2
InChIInChI=1S/C19H24F2N2O3/c1-3-23-17(24)11-14(18(25)26-2)19(23)6-8-22(9-7-19)12-13-4-5-15(20)16(21)10-13/h4-5,10,14H,3,6-9,11-12H2,1-2H3
InChIKeySIHITMIGTVWWPX-UHFFFAOYSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 45178498) is methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is CCN1C(=O)CC(C(=O)OC)C12CCN(Cc1ccc(F)c(F)c1)CC2.
What is the InChIKey of methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is SIHITMIGTVWWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O3/c1-3-23-17(24)11-14(18(25)26-2)19(23)6-8-22(9-7-19)12-13-4-5-15(20)16(21)10-13/h4-5,10,14H,3,6-9,11-12H2,1-2H3.
What are the key properties of methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 366.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(3,4-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 45178498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).