[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

C20H23ClN2O5 — CID 122256419

IUPAC[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(Oc3ccncc3Cl)C2)c(OC)c1OC
InChIInChI=1S/C20H23ClN2O5/c1-25-17-7-6-14(18(26-2)19(17)27-3)20(24)23-10-4-5-13(12-23)28-16-8-9-22-11-15(16)21/h6-9,11,13H,4-5,10,12H2,1-3H3
InChIKeyZLKFICSRJOZIQV-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.44
Rot. Bonds6

About [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 122256419) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
PubChem CID122256419
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(Oc3ccncc3Cl)C2)c(OC)c1OC
InChIInChI=1S/C20H23ClN2O5/c1-25-17-7-6-14(18(26-2)19(17)27-3)20(24)23-10-4-5-13(12-23)28-16-8-9-22-11-15(16)21/h6-9,11,13H,4-5,10,12H2,1-3H3
InChIKeyZLKFICSRJOZIQV-UHFFFAOYSA-N
XLogP3.44
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 122256184
(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 122243487
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 122268248
[3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone
CID 136542403
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
CID 122256176
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 122243488
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122256393
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 122256319
4-bromo-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 122256280
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122256222

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (CID 122256419) is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCCC(Oc3ccncc3Cl)C2)c(OC)c1OC.
What is the InChIKey of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is ZLKFICSRJOZIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5/c1-25-17-7-6-14(18(26-2)19(17)27-3)20(24)23-10-4-5-13(12-23)28-16-8-9-22-11-15(16)21/h6-9,11,13H,4-5,10,12H2,1-3H3.
What are the key properties of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 406.87 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 122256419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).