2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone

C20H23ClN2O3 — CID 3612489

IUPAC2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
SMILESCOc1ccccc1NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O3/c1-25-19-5-3-2-4-18(19)22-16-10-12-23(13-11-16)20(24)14-26-17-8-6-15(21)7-9-17/h2-9,16,22H,10-14H2,1H3
InChIKeyGNVVGCHQAKZHPA-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone (PubChem CID 3612489) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
PubChem CID3612489
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
SMILESCOc1ccccc1NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O3/c1-25-19-5-3-2-4-18(19)22-16-10-12-23(13-11-16)20(24)14-26-17-8-6-15(21)7-9-17/h2-9,16,22H,10-14H2,1H3
InChIKeyGNVVGCHQAKZHPA-UHFFFAOYSA-N
XLogP3.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549791
2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
CID 154803745
2-(4-chlorophenoxy)-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethanone
CID 130320248
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555618
2-(4-chlorophenoxy)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558704
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
1-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 108535354
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554046
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108547312

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone (CID 3612489) is 2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone is COc1ccccc1NC1CCN(C(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone?
The InChIKey is GNVVGCHQAKZHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-25-19-5-3-2-4-18(19)22-16-10-12-23(13-11-16)20(24)14-26-17-8-6-15(21)7-9-17/h2-9,16,22H,10-14H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone has a molecular weight of 374.87 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 3612489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).