N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide

C31H38N2O2 — CID 110082027

IUPACN-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C31H38N2O2/c1-32(25-28-14-7-3-8-15-28)30(34)24-31(26-35-29-17-9-4-10-18-29)19-22-33(23-20-31)21-11-16-27-12-5-2-6-13-27/h2-10,12-15,17-18H,11,16,19-26H2,1H3
InChIKeyFFOVIRGMCGTDLY-UHFFFAOYSA-N
MW470.66 g/mol
LogP5.83
Rot. Bonds11

About N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide

N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide (PubChem CID 110082027) has the molecular formula C31H38N2O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide
PubChem CID110082027
Molecular FormulaC31H38N2O2
Molecular Weight470.66 g/mol
Exact Mass470.29
IUPAC NameN-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C31H38N2O2/c1-32(25-28-14-7-3-8-15-28)30(34)24-31(26-35-29-17-9-4-10-18-29)19-22-33(23-20-31)21-11-16-27-12-5-2-6-13-27/h2-10,12-15,17-18H,11,16,19-26H2,1H3
InChIKeyFFOVIRGMCGTDLY-UHFFFAOYSA-N
XLogP5.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide (CID 110082027) is N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide is CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CCN(CCCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide?
The InChIKey is FFOVIRGMCGTDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O2/c1-32(25-28-14-7-3-8-15-28)30(34)24-31(26-35-29-17-9-4-10-18-29)19-22-33(23-20-31)21-11-16-27-12-5-2-6-13-27/h2-10,12-15,17-18H,11,16,19-26H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide?
N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide has a molecular weight of 470.66 g/mol, XLogP of 5.83, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[4-(phenoxymethyl)-1-(3-phenylpropyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 110082027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).