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

C18H19ClN2O3 — CID 122256184

IUPAC[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C18H19ClN2O3/c1-23-16-7-3-2-6-14(16)18(22)21-10-4-5-13(12-21)24-17-8-9-20-11-15(17)19/h2-3,6-9,11,13H,4-5,10,12H2,1H3
InChIKeyPUZCNEVPZJVKGQ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.43
Rot. Bonds4

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

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 122256184) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID122256184
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C18H19ClN2O3/c1-23-16-7-3-2-6-14(16)18(22)21-10-4-5-13(12-21)24-17-8-9-20-11-15(17)19/h2-3,6-9,11,13H,4-5,10,12H2,1H3
InChIKeyPUZCNEVPZJVKGQ-UHFFFAOYSA-N
XLogP3.43
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 122256419
(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291
[3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone
CID 136542403
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 122243487
[2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 119100237
3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one
CID 122243483
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 122256144
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]-(3-iodophenyl)methanone
CID 122256358
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122256393

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone (CID 122256184) is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCCC(Oc2ccncc2Cl)C1.
What is the InChIKey of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is PUZCNEVPZJVKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-23-16-7-3-2-6-14(16)18(22)21-10-4-5-13(12-21)24-17-8-9-20-11-15(17)19/h2-3,6-9,11,13H,4-5,10,12H2,1H3.
What are the key properties of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone?
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 346.81 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 122256184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).