methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate

C20H27FN2O3 — CID 45172031

IUPACmethyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCCN1C(=O)CC(C(=O)OC)C12CCN(Cc1ccccc1F)CC2
InChIInChI=1S/C20H27FN2O3/c1-3-10-23-18(24)13-16(19(25)26-2)20(23)8-11-22(12-9-20)14-15-6-4-5-7-17(15)21/h4-7,16H,3,8-14H2,1-2H3
InChIKeyFGNDJTVUOGXOHL-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.59
Rot. Bonds5

About methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 45172031) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID45172031
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Namemethyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCCN1C(=O)CC(C(=O)OC)C12CCN(Cc1ccccc1F)CC2
InChIInChI=1S/C20H27FN2O3/c1-3-10-23-18(24)13-16(19(25)26-2)20(23)8-11-22(12-9-20)14-15-6-4-5-7-17(15)21/h4-7,16H,3,8-14H2,1-2H3
InChIKeyFGNDJTVUOGXOHL-UHFFFAOYSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 45172031) is methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate is CCCN1C(=O)CC(C(=O)OC)C12CCN(Cc1ccccc1F)CC2.
What is the InChIKey of methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is FGNDJTVUOGXOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-3-10-23-18(24)13-16(19(25)26-2)20(23)8-11-22(12-9-20)14-15-6-4-5-7-17(15)21/h4-7,16H,3,8-14H2,1-2H3.
What are the key properties of methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 362.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(2-fluorophenyl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 45172031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).