[5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone

C19H21ClN2O2 — CID 55809533

IUPAC[5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCc1ccc(Oc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-14-6-8-16(9-7-14)24-18-17(20)12-15(13-21-18)19(23)22-10-4-3-5-11-22/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyXGHLTIXGESGCGB-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.72
Rot. Bonds4

About [5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 55809533) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is [5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID55809533
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name[5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCc1ccc(Oc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-14-6-8-16(9-7-14)24-18-17(20)12-15(13-21-18)19(23)22-10-4-3-5-11-22/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyXGHLTIXGESGCGB-UHFFFAOYSA-N
XLogP4.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate
CID 56584563
N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide
CID 56584658
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
3-[[5-(azetidine-1-carbonyl)-3-chloro-2-pyridinyl]oxy]-5-(1-hydroxypropan-2-yloxy)benzoic acid
CID 67109186
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate
CID 121281075
[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270733
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
1-(5-chloro-6-ethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533892

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone (CID 55809533) is [5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone is CCc1ccc(Oc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1.
What is the InChIKey of [5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is XGHLTIXGESGCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-2-14-6-8-16(9-7-14)24-18-17(20)12-15(13-21-18)19(23)22-10-4-3-5-11-22/h6-9,12-13H,2-5,10-11H2,1H3.
What are the key properties of [5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 344.84 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 55809533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).