3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione

C26H39FN4O3 — CID 170954027

IUPAC3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione
SMILESC[C@@H](N)COC1CCC(CN2CCC(c3ccc(NC4CCC(=O)NC4=O)c(F)c3)CC2)CC1
InChIInChI=1S/C26H39FN4O3/c1-17(28)16-34-21-5-2-18(3-6-21)15-31-12-10-19(11-13-31)20-4-7-23(22(27)14-20)29-24-8-9-25(32)30-26(24)33/h4,7,14,17-19,21,24,29H,2-3,5-6,8-13,15-16,28H2,1H3,(H,30,32,33)/t17-,18?,21?,24?/m1/s1
InChIKeyYTKXTWLAPQFXPQ-HNWIOCRDSA-N
MW474.62 g/mol
LogP3.14
Rot. Bonds8

About 3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione

3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione (PubChem CID 170954027) has the molecular formula C26H39FN4O3 and a molecular weight of 474.62 g/mol. Its IUPAC name is 3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione
PubChem CID170954027
Molecular FormulaC26H39FN4O3
Molecular Weight474.62 g/mol
Exact Mass474.30
IUPAC Name3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione
SMILESC[C@@H](N)COC1CCC(CN2CCC(c3ccc(NC4CCC(=O)NC4=O)c(F)c3)CC2)CC1
InChIInChI=1S/C26H39FN4O3/c1-17(28)16-34-21-5-2-18(3-6-21)15-31-12-10-19(11-13-31)20-4-7-23(22(27)14-20)29-24-8-9-25(32)30-26(24)33/h4,7,14,17-19,21,24,29H,2-3,5-6,8-13,15-16,28H2,1H3,(H,30,32,33)/t17-,18?,21?,24?/m1/s1
InChIKeyYTKXTWLAPQFXPQ-HNWIOCRDSA-N
XLogP3.14
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[2-fluoro-4-(1-methylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166116987
tert-butyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-fluorophenyl]piperidin-1-yl]acetate
CID 156516068
3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 156505691
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 171598924
3-(4-bromo-2-fluoroanilino)piperidine-2,6-dione
CID 172609781
3-[3-methyl-5-[1-[[4-[2-(methylamino)ethoxy]cyclohexyl]methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166118276
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 171598542
2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione
CID 175628232
3-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoroanilino]piperidine-2,6-dione
CID 170952320
3-tert-butyl-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-fluorophenyl]piperidine-1-carboxylic acid
CID 174235465
3-(4-ethyl-2,5-difluoroanilino)piperidine-2,6-dione
CID 176683649
3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 170749885

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione (CID 170954027) is 3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione is C[C@@H](N)COC1CCC(CN2CCC(c3ccc(NC4CCC(=O)NC4=O)c(F)c3)CC2)CC1.
What is the InChIKey of 3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione?
The InChIKey is YTKXTWLAPQFXPQ-HNWIOCRDSA-N. The full InChI is InChI=1S/C26H39FN4O3/c1-17(28)16-34-21-5-2-18(3-6-21)15-31-12-10-19(11-13-31)20-4-7-23(22(27)14-20)29-24-8-9-25(32)30-26(24)33/h4,7,14,17-19,21,24,29H,2-3,5-6,8-13,15-16,28H2,1H3,(H,30,32,33)/t17-,18?,21?,24?/m1/s1.
What are the key properties of 3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione?
3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione has a molecular weight of 474.62 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[[4-[(2R)-2-aminopropoxy]cyclohexyl]methyl]piperidin-4-yl]-2-fluoroanilino]piperidine-2,6-dione is sourced from PubChem (CID 170954027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).