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

C24H29ClN2O4 — CID 108553151

IUPAC2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)C(C)Oc3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C24H29ClN2O4/c1-16-4-9-22(17(2)14-16)30-15-23(28)27-12-10-20(11-13-27)26-24(29)18(3)31-21-7-5-19(25)6-8-21/h4-9,14,18,20H,10-13,15H2,1-3H3,(H,26,29)
InChIKeySTPWJMNRGUFJMG-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.91
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide (PubChem CID 108553151) has the molecular formula C24H29ClN2O4 and a molecular weight of 444.96 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
PubChem CID108553151
Molecular FormulaC24H29ClN2O4
Molecular Weight444.96 g/mol
Exact Mass444.18
IUPAC Name2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)C(C)Oc3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C24H29ClN2O4/c1-16-4-9-22(17(2)14-16)30-15-23(28)27-12-10-20(11-13-27)26-24(29)18(3)31-21-7-5-19(25)6-8-21/h4-9,14,18,20H,10-13,15H2,1-3H3,(H,26,29)
InChIKeySTPWJMNRGUFJMG-UHFFFAOYSA-N
XLogP3.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108564260
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
4-chloro-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108564277
2-(4-chloro-2-methylphenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559678
2-(4-chlorophenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108553182
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-oxopentanamide
CID 108558029
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553340
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556366
tert-butyl N-[1-[2-(4-chloro-2-methylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 55736323
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549766
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560030
2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 119621572

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide (CID 108553151) is 2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)C(C)Oc3ccc(Cl)cc3)CC2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide?
The InChIKey is STPWJMNRGUFJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O4/c1-16-4-9-22(17(2)14-16)30-15-23(28)27-12-10-20(11-13-27)26-24(29)18(3)31-21-7-5-19(25)6-8-21/h4-9,14,18,20H,10-13,15H2,1-3H3,(H,26,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide?
2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide has a molecular weight of 444.96 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108553151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).