N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide

C23H27ClN2O4 — CID 108552999

IUPACN-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C23H27ClN2O4/c1-16-3-6-21(13-17(16)2)29-14-22(27)25-19-9-11-26(12-10-19)23(28)15-30-20-7-4-18(24)5-8-20/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,25,27)
InChIKeyUVKUEMADWYJGJL-UHFFFAOYSA-N
MW430.93 g/mol
LogP3.52
Rot. Bonds7

About N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide

N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 108552999) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID108552999
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC NameN-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C23H27ClN2O4/c1-16-3-6-21(13-17(16)2)29-14-22(27)25-19-9-11-26(12-10-19)23(28)15-30-20-7-4-18(24)5-8-20/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,25,27)
InChIKeyUVKUEMADWYJGJL-UHFFFAOYSA-N
XLogP3.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548368
4-chloro-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565138
2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108553005
2-(4-chlorophenoxy)-1-[4-[2-(3,4-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546619
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465
2-chloroethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560897
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108560886

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide (CID 108552999) is N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1C.
What is the InChIKey of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is UVKUEMADWYJGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-16-3-6-21(13-17(16)2)29-14-22(27)25-19-9-11-26(12-10-19)23(28)15-30-20-7-4-18(24)5-8-20/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 430.93 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 108552999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).