N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide

C26H42F3N5O4Si — CID 174027606

IUPACN-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC1(C)CCC(CC(C#N)NC(O)C2C[Si]3(CCCC3)CN2C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C)C(=O)N1
InChIInChI=1S/C26H42F3N5O4Si/c1-24(2,3)19(32-23(38)26(27,28)29)22(37)34-15-39(10-6-7-11-39)14-18(34)21(36)31-17(13-30)12-16-8-9-25(4,5)33-20(16)35/h16-19,21,31,36H,6-12,14-15H2,1-5H3,(H,32,38)(H,33,35)
InChIKeyALHZPBYLAZWAGY-UHFFFAOYSA-N
MW573.73 g/mol
LogP2.57
Rot. Bonds7

About N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide

N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 174027606) has the molecular formula C26H42F3N5O4Si and a molecular weight of 573.73 g/mol. Its IUPAC name is N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID174027606
Molecular FormulaC26H42F3N5O4Si
Molecular Weight573.73 g/mol
Exact Mass573.30
IUPAC NameN-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC1(C)CCC(CC(C#N)NC(O)C2C[Si]3(CCCC3)CN2C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C)C(=O)N1
InChIInChI=1S/C26H42F3N5O4Si/c1-24(2,3)19(32-23(38)26(27,28)29)22(37)34-15-39(10-6-7-11-39)14-18(34)21(36)31-17(13-30)12-16-8-9-25(4,5)33-20(16)35/h16-19,21,31,36H,6-12,14-15H2,1-5H3,(H,32,38)(H,33,35)
InChIKeyALHZPBYLAZWAGY-UHFFFAOYSA-N
XLogP2.57
TPSA134.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.73
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-N-[(1S)-1-cyano-2-[(6S)-5-oxo-4-azaspiro[2.5]octan-6-yl]ethyl]-4-cyclopentyl-1-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]pyrrolidine-2-carboxamide
CID 166840392
(1R,4S,6R)-N-[(1S)-1-cyano-2-[(6S)-5-oxo-4-azaspiro[2.5]octan-6-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-3-azabicyclo[4.1.0]heptane-4-carboxamide;molecular hydrogen
CID 167677667
N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-3-[3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166840466
N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4,4-dimethylpiperidine-2-carboxamide
CID 164701736
(8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-7-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-7-azadispiro[3.0.45.14]decane-8-carboxamide
CID 170167675
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166840326
(1R,2S,3S,6R,7S)-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 166466557
(2S)-N-[(2S)-1-[[(1S)-1-cyano-2-[(6S)-5-oxo-4-azaspiro[2.5]octan-6-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166494936
(1S,2S,3S,6R,7R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 171579210
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-carboxamide
CID 167338887
(2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide
CID 163476419
N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 168834305

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide (CID 174027606) is N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide is CC1(C)CCC(CC(C#N)NC(O)C2C[Si]3(CCCC3)CN2C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C)C(=O)N1.
What is the InChIKey of N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is ALHZPBYLAZWAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42F3N5O4Si/c1-24(2,3)19(32-23(38)26(27,28)29)22(37)34-15-39(10-6-7-11-39)14-18(34)21(36)31-17(13-30)12-16-8-9-25(4,5)33-20(16)35/h16-19,21,31,36H,6-12,14-15H2,1-5H3,(H,32,38)(H,33,35).
What are the key properties of N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide?
N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 573.73 g/mol, XLogP of 2.57, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-hydroxymethyl]-2-aza-5-silaspiro[4.4]nonan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 174027606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).