2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide

C17H24FN3O5S — CID 124955846

IUPAC2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide
SMILESCS(=O)(=O)NCC(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(N)=O)C1
InChIInChI=1S/C17H24FN3O5S/c1-27(24,25)20-10-16(23)21-8-2-7-17(11-21,9-15(19)22)12-26-14-5-3-13(18)4-6-14/h3-6,20H,2,7-12H2,1H3,(H2,19,22)/t17-/m1/s1
InChIKeyFMYZZLWVRBNNMN-QGZVFWFLSA-N
MW401.46 g/mol
LogP0.24
Rot. Bonds8

About 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide

2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide (PubChem CID 124955846) has the molecular formula C17H24FN3O5S and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide
PubChem CID124955846
Molecular FormulaC17H24FN3O5S
Molecular Weight401.46 g/mol
Exact Mass401.14
IUPAC Name2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide
SMILESCS(=O)(=O)NCC(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(N)=O)C1
InChIInChI=1S/C17H24FN3O5S/c1-27(24,25)20-10-16(23)21-8-2-7-17(11-21,9-15(19)22)12-26-14-5-3-13(18)4-6-14/h3-6,20H,2,7-12H2,1H3,(H2,19,22)/t17-/m1/s1
InChIKeyFMYZZLWVRBNNMN-QGZVFWFLSA-N
XLogP0.24
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide (CID 124955846) is 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide is CS(=O)(=O)NCC(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(N)=O)C1.
What is the InChIKey of 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide?
The InChIKey is FMYZZLWVRBNNMN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24FN3O5S/c1-27(24,25)20-10-16(23)21-8-2-7-17(11-21,9-15(19)22)12-26-14-5-3-13(18)4-6-14/h3-6,20H,2,7-12H2,1H3,(H2,19,22)/t17-/m1/s1.
What are the key properties of 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide?
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide has a molecular weight of 401.46 g/mol, XLogP of 0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 124955846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).