N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide

C22H29N2O3+ — CID 9091140

IUPACN-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCC[NH+]1CCC(NC(=O)COc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O3/c1-2-24-14-12-19(13-15-24)23-22(25)17-27-21-10-8-20(9-11-21)26-16-18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3,(H,23,25)/p+1
InChIKeyQWFUNHGXIWJAKQ-UHFFFAOYSA-O
MW369.49 g/mol
LogP1.83
Rot. Bonds8

About N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide

N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 9091140) has the molecular formula C22H29N2O3+ and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID9091140
Molecular FormulaC22H29N2O3+
Molecular Weight369.49 g/mol
Exact Mass369.22
IUPAC NameN-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide
SMILESCC[NH+]1CCC(NC(=O)COc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O3/c1-2-24-14-12-19(13-15-24)23-22(25)17-27-21-10-8-20(9-11-21)26-16-18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3,(H,23,25)/p+1
InChIKeyQWFUNHGXIWJAKQ-UHFFFAOYSA-O
XLogP1.83
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 6601801
2-(4-phenylmethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919823
N-(2-oxooxolan-3-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 2998651
2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 55802771
1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine-1,4-diium
CID 6943042
1-ethyl-4-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine-1,4-diium
CID 7484376
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
N-ethyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetamide
CID 9224487
2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid
CID 119213473
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 126197548

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide (CID 9091140) is N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide is CC[NH+]1CCC(NC(=O)COc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is QWFUNHGXIWJAKQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H28N2O3/c1-2-24-14-12-19(13-15-24)23-22(25)17-27-21-10-8-20(9-11-21)26-16-18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3,(H,23,25)/p+1.
What are the key properties of N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide?
N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 369.49 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 9091140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).