2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide

C16H22Cl2N2O2 — CID 54774623

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
SMILESCC1CCCN(CCNC(=O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H22Cl2N2O2/c1-12-3-2-7-20(10-12)8-6-19-16(21)11-22-15-5-4-13(17)9-14(15)18/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,19,21)
InChIKeyCJBORPGIBSFPIZ-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.22
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide (PubChem CID 54774623) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
PubChem CID54774623
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
SMILESCC1CCCN(CCNC(=O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H22Cl2N2O2/c1-12-3-2-7-20(10-12)8-6-19-16(21)11-22-15-5-4-13(17)9-14(15)18/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,19,21)
InChIKeyCJBORPGIBSFPIZ-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342
2-(4-chloro-3-methylphenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 55715629
(2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol
CID 6560044
2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522681
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 133160653
2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266468
2-(2,4-dichlorophenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125042477
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47910189
1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82051122

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide (CID 54774623) is 2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide is CC1CCCN(CCNC(=O)COc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is CJBORPGIBSFPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-12-3-2-7-20(10-12)8-6-19-16(21)11-22-15-5-4-13(17)9-14(15)18/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 345.27 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 54774623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).