4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide

C17H23Cl2N3O3 — CID 126853022

IUPAC4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CNC(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O3/c1-21(2)17(24)22-7-5-12(6-8-22)10-20-16(23)11-25-15-4-3-13(18)9-14(15)19/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,20,23)
InChIKeyJUMHXUVETBQMGD-UHFFFAOYSA-N
MW388.30 g/mol
LogP2.88
Rot. Bonds5

About 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide

4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 126853022) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID126853022
Molecular FormulaC17H23Cl2N3O3
Molecular Weight388.30 g/mol
Exact Mass387.11
IUPAC Name4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CNC(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O3/c1-21(2)17(24)22-7-5-12(6-8-22)10-20-16(23)11-25-15-4-3-13(18)9-14(15)19/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,20,23)
InChIKeyJUMHXUVETBQMGD-UHFFFAOYSA-N
XLogP2.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide with MolForge

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Related Compounds

tert-butyl N-[3-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919320
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 60604909
2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
CID 121021222
2-cyano-N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922055
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935300
1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide
CID 17479123
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 90567515
3-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647198
2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561064
4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 121020466

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide (CID 126853022) is 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(CNC(=O)COc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is JUMHXUVETBQMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O3/c1-21(2)17(24)22-7-5-12(6-8-22)10-20-16(23)11-25-15-4-3-13(18)9-14(15)19/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,20,23).
What are the key properties of 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 388.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 126853022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).