1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide

C32H44FN3O4 — CID 134209667

IUPAC1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
SMILESC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3F)cc2=O)C(C)(C)C1
InChIInChI=1S/C32H44FN3O4/c1-22(17-23-11-7-6-8-12-23)29(38)35-16-15-32(40,31(2,3)20-35)21-36-19-26(30(39)34(4)5)25(18-28(36)37)24-13-9-10-14-27(24)33/h9-10,13-14,18-19,22-23,40H,6-8,11-12,15-17,20-21H2,1-5H3/t22-,32-/m1/s1
InChIKeyMXBBBFXVOYRUBY-APYJYERMSA-N
MW553.72 g/mol
LogP4.95
Rot. Bonds7

About 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide

1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 134209667) has the molecular formula C32H44FN3O4 and a molecular weight of 553.72 g/mol. Its IUPAC name is 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID134209667
Molecular FormulaC32H44FN3O4
Molecular Weight553.72 g/mol
Exact Mass553.33
IUPAC Name1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
SMILESC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3F)cc2=O)C(C)(C)C1
InChIInChI=1S/C32H44FN3O4/c1-22(17-23-11-7-6-8-12-23)29(38)35-16-15-32(40,31(2,3)20-35)21-36-19-26(30(39)34(4)5)25(18-28(36)37)24-13-9-10-14-27(24)33/h9-10,13-14,18-19,22-23,40H,6-8,11-12,15-17,20-21H2,1-5H3/t22-,32-/m1/s1
InChIKeyMXBBBFXVOYRUBY-APYJYERMSA-N
XLogP4.95
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.72
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

US11053213, Example 229
CID 134218513
US11053213, Example 213
CID 134209704
US11053213, Example 102
CID 134209715
US11053213, Example 222
CID 134209719
US11053213, Example 247
CID 134209739
US11053213, Example 226
CID 134209741
US11053213, Example 214
CID 134209839
US11053213, Example 227
CID 134209976
US11053213, Example 76
CID 134210111
US11053213, Example 52
CID 134210282
US11053213, Example 206
CID 134210296
US11053213, Example 166
CID 134210310

Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide (CID 134209667) is 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide is C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3F)cc2=O)C(C)(C)C1.
What is the InChIKey of 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is MXBBBFXVOYRUBY-APYJYERMSA-N. The full InChI is InChI=1S/C32H44FN3O4/c1-22(17-23-11-7-6-8-12-23)29(38)35-16-15-32(40,31(2,3)20-35)21-36-19-26(30(39)34(4)5)25(18-28(36)37)24-13-9-10-14-27(24)33/h9-10,13-14,18-19,22-23,40H,6-8,11-12,15-17,20-21H2,1-5H3/t22-,32-/m1/s1.
What are the key properties of 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 553.72 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 134209667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).