(5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

C15H16F3N3O3 — CID 125168497

IUPAC(5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCN1C[C@]2(CCCN(C(=O)Nc3cc(F)c(F)c(F)c3)C2)OC1=O
InChIInChI=1S/C15H16F3N3O3/c1-20-7-15(24-14(20)23)3-2-4-21(8-15)13(22)19-9-5-10(16)12(18)11(17)6-9/h5-6H,2-4,7-8H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyLDFJNHNVYGEDJU-HNNXBMFYSA-N
MW343.31 g/mol
LogP2.55
Rot. Bonds1

About (5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

(5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 125168497) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is (5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
PubChem CID125168497
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Name(5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCN1C[C@]2(CCCN(C(=O)Nc3cc(F)c(F)c(F)c3)C2)OC1=O
InChIInChI=1S/C15H16F3N3O3/c1-20-7-15(24-14(20)23)3-2-4-21(8-15)13(22)19-9-5-10(16)12(18)11(17)6-9/h5-6H,2-4,7-8H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyLDFJNHNVYGEDJU-HNNXBMFYSA-N
XLogP2.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (CID 125168497) is (5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is CN1C[C@]2(CCCN(C(=O)Nc3cc(F)c(F)c(F)c3)C2)OC1=O.
What is the InChIKey of (5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The InChIKey is LDFJNHNVYGEDJU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-20-7-15(24-14(20)23)3-2-4-21(8-15)13(22)19-9-5-10(16)12(18)11(17)6-9/h5-6H,2-4,7-8H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
(5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 125168497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).