N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide

C22H26N2O3 — CID 4882630

IUPACN-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-17(25)23-20-7-9-21(10-8-20)27-16-22(26)24-13-11-19(12-14-24)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,23,25)
InChIKeyOHQJOHSMIOMRFT-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.51
Rot. Bonds6

About N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide

N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide (PubChem CID 4882630) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide
PubChem CID4882630
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-17(25)23-20-7-9-21(10-8-20)27-16-22(26)24-13-11-19(12-14-24)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,23,25)
InChIKeyOHQJOHSMIOMRFT-UHFFFAOYSA-N
XLogP3.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide (CID 4882630) is N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is OHQJOHSMIOMRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17(25)23-20-7-9-21(10-8-20)27-16-22(26)24-13-11-19(12-14-24)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,23,25).
What are the key properties of N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide?
N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 4882630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).