N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

C18H24FN3O3 — CID 126431065

IUPACN-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O3/c1-3-15(13-4-6-14(19)7-5-13)20-16(23)22-10-8-18(9-11-22)12-21(2)17(24)25-18/h4-7,15H,3,8-12H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyXUNGXFQDGJMTOK-OAHLLOKOSA-N
MW349.41 g/mol
LogP2.90
Rot. Bonds3

About N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 126431065) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID126431065
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC NameN-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O3/c1-3-15(13-4-6-14(19)7-5-13)20-16(23)22-10-8-18(9-11-22)12-21(2)17(24)25-18/h4-7,15H,3,8-12H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyXUNGXFQDGJMTOK-OAHLLOKOSA-N
XLogP2.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (CID 126431065) is N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is CC[C@@H](NC(=O)N1CCC2(CC1)CN(C)C(=O)O2)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is XUNGXFQDGJMTOK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-3-15(13-4-6-14(19)7-5-13)20-16(23)22-10-8-18(9-11-22)12-21(2)17(24)25-18/h4-7,15H,3,8-12H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 126431065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).