N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide

C24H29Cl2N3O3 — CID 59444266

IUPACN-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide
SMILESCC(C)(CC(=O)N1CCC(O)(c2ncc(Cl)cc2Cl)C(C)(C)C1)NC(=O)c1ccccc1
InChIInChI=1S/C24H29Cl2N3O3/c1-22(2)15-29(11-10-24(22,32)20-18(26)12-17(25)14-27-20)19(30)13-23(3,4)28-21(31)16-8-6-5-7-9-16/h5-9,12,14,32H,10-11,13,15H2,1-4H3,(H,28,31)
InChIKeyKQCZUYRSUSTKIL-UHFFFAOYSA-N
MW478.42 g/mol
LogP4.43
Rot. Bonds5

About N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide

N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide (PubChem CID 59444266) has the molecular formula C24H29Cl2N3O3 and a molecular weight of 478.42 g/mol. Its IUPAC name is N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide
PubChem CID59444266
Molecular FormulaC24H29Cl2N3O3
Molecular Weight478.42 g/mol
Exact Mass477.16
IUPAC NameN-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide
SMILESCC(C)(CC(=O)N1CCC(O)(c2ncc(Cl)cc2Cl)C(C)(C)C1)NC(=O)c1ccccc1
InChIInChI=1S/C24H29Cl2N3O3/c1-22(2)15-29(11-10-24(22,32)20-18(26)12-17(25)14-27-20)19(30)13-23(3,4)28-21(31)16-8-6-5-7-9-16/h5-9,12,14,32H,10-11,13,15H2,1-4H3,(H,28,31)
InChIKeyKQCZUYRSUSTKIL-UHFFFAOYSA-N
XLogP4.43
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide (CID 59444266) is N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide is CC(C)(CC(=O)N1CCC(O)(c2ncc(Cl)cc2Cl)C(C)(C)C1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide?
The InChIKey is KQCZUYRSUSTKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O3/c1-22(2)15-29(11-10-24(22,32)20-18(26)12-17(25)14-27-20)19(30)13-23(3,4)28-21(31)16-8-6-5-7-9-16/h5-9,12,14,32H,10-11,13,15H2,1-4H3,(H,28,31).
What are the key properties of N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide?
N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide has a molecular weight of 478.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 59444266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).