N-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C18H28N2O2 — CID 2971269

IUPACN-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C18H28N2O2/c1-13(2)16-6-5-14(3)11-17(16)22-12-18(21)19-15-7-9-20(4)10-8-15/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,19,21)
InChIKeyMBWMKKSHOGJMGA-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.71
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 2971269) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID2971269
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C18H28N2O2/c1-13(2)16-6-5-14(3)11-17(16)22-12-18(21)19-15-7-9-20(4)10-8-15/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,19,21)
InChIKeyMBWMKKSHOGJMGA-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 2971269) is N-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NC2CCN(C)CC2)c1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is MBWMKKSHOGJMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)16-6-5-14(3)11-17(16)22-12-18(21)19-15-7-9-20(4)10-8-15/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,19,21).
What are the key properties of N-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 2971269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).