(5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one

C16H18F3N3O3 — CID 97149389

IUPAC(5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CC[C@]2(CCCNC2=O)C1
InChIInChI=1S/C16H18F3N3O3/c17-16(18,19)11-2-3-12(23)22(8-11)9-13(24)21-7-5-15(10-21)4-1-6-20-14(15)25/h2-3,8H,1,4-7,9-10H2,(H,20,25)/t15-/m1/s1
InChIKeyKTQBJVSYSDJUMM-OAHLLOKOSA-N
MW357.33 g/mol
LogP1.00
Rot. Bonds2

About (5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97149389) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is (5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97149389
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name(5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CC[C@]2(CCCNC2=O)C1
InChIInChI=1S/C16H18F3N3O3/c17-16(18,19)11-2-3-12(23)22(8-11)9-13(24)21-7-5-15(10-21)4-1-6-20-14(15)25/h2-3,8H,1,4-7,9-10H2,(H,20,25)/t15-/m1/s1
InChIKeyKTQBJVSYSDJUMM-OAHLLOKOSA-N
XLogP1.00
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97149389) is (5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one is O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CC[C@]2(CCCNC2=O)C1.
What is the InChIKey of (5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KTQBJVSYSDJUMM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c17-16(18,19)11-2-3-12(23)22(8-11)9-13(24)21-7-5-15(10-21)4-1-6-20-14(15)25/h2-3,8H,1,4-7,9-10H2,(H,20,25)/t15-/m1/s1.
What are the key properties of (5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 357.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97149389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).