N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide

C22H28N2O2 — CID 16895737

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-18-7-9-21(10-8-18)26-17-22(25)23-15-19-11-13-24(14-12-19)16-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,23,25)
InChIKeyJRLFBJAKDSZKHG-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.40
Rot. Bonds7

About N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide

N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 16895737) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
PubChem CID16895737
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-18-7-9-21(10-8-18)26-17-22(25)23-15-19-11-13-24(14-12-19)16-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,23,25)
InChIKeyJRLFBJAKDSZKHG-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110291709
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110736170
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide
CID 110287343
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 121109431
2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743222
2-(4-methylphenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640198
N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 142513714
2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide (CID 16895737) is N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is JRLFBJAKDSZKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18-7-9-21(10-8-18)26-17-22(25)23-15-19-11-13-24(14-12-19)16-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,23,25).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide?
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 16895737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).