N-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide

C24H32FN3O3 — CID 143751328

IUPACN-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)(CC(=O)N1CCC(O)(c2ccc(F)cn2)C(C)(C)C1)NC(=O)C1=CCCC=C1
InChIInChI=1S/C24H32FN3O3/c1-22(2)16-28(13-12-24(22,31)19-11-10-18(25)15-26-19)20(29)14-23(3,4)27-21(30)17-8-6-5-7-9-17/h6,8-11,15,31H,5,7,12-14,16H2,1-4H3,(H,27,30)
InChIKeyMZCGACLYXYJUDC-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.23
Rot. Bonds5

About N-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide

N-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 143751328) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide
PubChem CID143751328
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC NameN-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)(CC(=O)N1CCC(O)(c2ccc(F)cn2)C(C)(C)C1)NC(=O)C1=CCCC=C1
InChIInChI=1S/C24H32FN3O3/c1-22(2)16-28(13-12-24(22,31)19-11-10-18(25)15-26-19)20(29)14-23(3,4)27-21(30)17-8-6-5-7-9-17/h6,8-11,15,31H,5,7,12-14,16H2,1-4H3,(H,27,30)
InChIKeyMZCGACLYXYJUDC-UHFFFAOYSA-N
XLogP3.23
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide (CID 143751328) is N-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide is CC(C)(CC(=O)N1CCC(O)(c2ccc(F)cn2)C(C)(C)C1)NC(=O)C1=CCCC=C1.
What is the InChIKey of N-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is MZCGACLYXYJUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3/c1-22(2)16-28(13-12-24(22,31)19-11-10-18(25)15-26-19)20(29)14-23(3,4)27-21(30)17-8-6-5-7-9-17/h6,8-11,15,31H,5,7,12-14,16H2,1-4H3,(H,27,30).
What are the key properties of N-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide?
N-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-fluoro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 143751328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).