N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide

C20H30FN3O4S — CID 153452692

IUPACN-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide
SMILESCC(C)(C(CO)NC(=O)N1CCC1)S(=O)(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN3O4S/c1-20(2,18(14-25)22-19(26)23-10-3-11-23)29(27,28)24-12-8-16(9-13-24)15-4-6-17(21)7-5-15/h4-7,16,18,25H,3,8-14H2,1-2H3,(H,22,26)
InChIKeyHSWCEBZYUYMERJ-UHFFFAOYSA-N
MW427.54 g/mol
LogP1.89
Rot. Bonds6

About N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide

N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide (PubChem CID 153452692) has the molecular formula C20H30FN3O4S and a molecular weight of 427.54 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide
PubChem CID153452692
Molecular FormulaC20H30FN3O4S
Molecular Weight427.54 g/mol
Exact Mass427.19
IUPAC NameN-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide
SMILESCC(C)(C(CO)NC(=O)N1CCC1)S(=O)(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN3O4S/c1-20(2,18(14-25)22-19(26)23-10-3-11-23)29(27,28)24-12-8-16(9-13-24)15-4-6-17(21)7-5-15/h4-7,16,18,25H,3,8-14H2,1-2H3,(H,22,26)
InChIKeyHSWCEBZYUYMERJ-UHFFFAOYSA-N
XLogP1.89
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide (CID 153452692) is N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide is CC(C)(C(CO)NC(=O)N1CCC1)S(=O)(=O)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide?
The InChIKey is HSWCEBZYUYMERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O4S/c1-20(2,18(14-25)22-19(26)23-10-3-11-23)29(27,28)24-12-8-16(9-13-24)15-4-6-17(21)7-5-15/h4-7,16,18,25H,3,8-14H2,1-2H3,(H,22,26).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide?
N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide has a molecular weight of 427.54 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-1-hydroxy-3-methylbutan-2-yl]azetidine-1-carboxamide is sourced from PubChem (CID 153452692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).