2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

C14H22F3N3O3 — CID 97132203

IUPAC2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESNC(=O)CN1CC2(CCC1=O)CCN(C[C@@H](O)C(F)(F)F)CC2
InChIInChI=1S/C14H22F3N3O3/c15-14(16,17)10(21)7-19-5-3-13(4-6-19)2-1-12(23)20(9-13)8-11(18)22/h10,21H,1-9H2,(H2,18,22)/t10-/m1/s1
InChIKeyGBFNAEQHDHETLM-SNVBAGLBSA-N
MW337.34 g/mol
LogP0.10
Rot. Bonds4

About 2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide

2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (PubChem CID 97132203) has the molecular formula C14H22F3N3O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
PubChem CID97132203
Molecular FormulaC14H22F3N3O3
Molecular Weight337.34 g/mol
Exact Mass337.16
IUPAC Name2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
SMILESNC(=O)CN1CC2(CCC1=O)CCN(C[C@@H](O)C(F)(F)F)CC2
InChIInChI=1S/C14H22F3N3O3/c15-14(16,17)10(21)7-19-5-3-13(4-6-19)2-1-12(23)20(9-13)8-11(18)22/h10,21H,1-9H2,(H2,18,22)/t10-/m1/s1
InChIKeyGBFNAEQHDHETLM-SNVBAGLBSA-N
XLogP0.10
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide 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 2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The IUPAC name of 2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide (CID 97132203) is 2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide.
What is the SMILES notation for 2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The canonical SMILES for 2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is NC(=O)CN1CC2(CCC1=O)CCN(C[C@@H](O)C(F)(F)F)CC2.
What is the InChIKey of 2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
The InChIKey is GBFNAEQHDHETLM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22F3N3O3/c15-14(16,17)10(21)7-19-5-3-13(4-6-19)2-1-12(23)20(9-13)8-11(18)22/h10,21H,1-9H2,(H2,18,22)/t10-/m1/s1.
What are the key properties of 2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide?
2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-9-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-2-yl]acetamide is sourced from PubChem (CID 97132203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).