1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone

C23H27NO4 — CID 110394274

IUPAC1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCC(C(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C23H27NO4/c1-16-8-9-17(2)19(14-16)23(26)18-10-12-24(13-11-18)22(25)15-28-21-7-5-4-6-20(21)27-3/h4-9,14,18H,10-13,15H2,1-3H3
InChIKeyHQUWSKCLTIDFNZ-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.81
Rot. Bonds6

About 1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone

1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone (PubChem CID 110394274) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
PubChem CID110394274
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCC(C(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C23H27NO4/c1-16-8-9-17(2)19(14-16)23(26)18-10-12-24(13-11-18)22(25)15-28-21-7-5-4-6-20(21)27-3/h4-9,14,18H,10-13,15H2,1-3H3
InChIKeyHQUWSKCLTIDFNZ-UHFFFAOYSA-N
XLogP3.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 45427087
2-(2-methoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394378
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
N-cyclopropyl-1-[2-(2-methoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 113002547
ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 142232731
2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55956198
2-(2,5-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026636
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549766
1-[4-[(R)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95756685
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
1-[4-[2-(2-methoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 108547925
2-(2-methoxyphenoxy)-1-[7-(2-methylphenyl)-1,4-thiazepan-4-yl]ethanone
CID 90631177

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone (CID 110394274) is 1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)N1CCC(C(=O)c2cc(C)ccc2C)CC1.
What is the InChIKey of 1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The InChIKey is HQUWSKCLTIDFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-16-8-9-17(2)19(14-16)23(26)18-10-12-24(13-11-18)22(25)15-28-21-7-5-4-6-20(21)27-3/h4-9,14,18H,10-13,15H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone?
1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone has a molecular weight of 381.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylbenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 110394274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).