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

C23H27ClN2O3 — CID 108564260

IUPAC2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C23H27ClN2O3/c1-16-3-8-21(17(2)13-16)29-15-23(28)26-11-9-20(10-12-26)25-22(27)14-18-4-6-19(24)7-5-18/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,25,27)
InChIKeySELPNUSJZRQWFW-UHFFFAOYSA-N
MW414.93 g/mol
LogP3.69
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide (PubChem CID 108564260) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
PubChem CID108564260
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)c(C)c1
InChIInChI=1S/C23H27ClN2O3/c1-16-3-8-21(17(2)13-16)29-15-23(28)26-11-9-20(10-12-26)25-22(27)14-18-4-6-19(24)7-5-18/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,25,27)
InChIKeySELPNUSJZRQWFW-UHFFFAOYSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556366
2-(4-chlorophenoxy)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108553151
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-oxopentanamide
CID 108558029
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-chlorophenyl)-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108565232
2-(4-chloro-2-methylphenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559678
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108551081
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553731
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560021
benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564276
2-(2,4-dimethylphenoxy)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108551090

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide (CID 108564260) is 2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
The InChIKey is SELPNUSJZRQWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-16-3-8-21(17(2)13-16)29-15-23(28)26-11-9-20(10-12-26)25-22(27)14-18-4-6-19(24)7-5-18/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide?
2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide has a molecular weight of 414.93 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108564260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).