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

C17H23ClN2O2 — CID 122256170

IUPAC1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C17H23ClN2O2/c18-15-11-19-8-7-16(15)22-14-6-3-9-20(12-14)17(21)10-13-4-1-2-5-13/h7-8,11,13-14H,1-6,9-10,12H2
InChIKeyRLBBYSPKRJJEOX-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.69
Rot. Bonds4

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

1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone (PubChem CID 122256170) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
PubChem CID122256170
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C17H23ClN2O2/c18-15-11-19-8-7-16(15)22-14-6-3-9-20(12-14)17(21)10-13-4-1-2-5-13/h7-8,11,13-14H,1-6,9-10,12H2
InChIKeyRLBBYSPKRJJEOX-UHFFFAOYSA-N
XLogP3.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
4-bromo-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 122256280
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 122256256
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122256241
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 122243477
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
CID 122256176
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 122256404
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
CID 119100246
(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]-(4-propylthiadiazol-5-yl)methanone
CID 122256319
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 122256144

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone?
The IUPAC name of 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone (CID 122256170) is 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone is O=C(CC1CCCC1)N1CCCC(Oc2ccncc2Cl)C1.
What is the InChIKey of 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone?
The InChIKey is RLBBYSPKRJJEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-15-11-19-8-7-16(15)22-14-6-3-9-20(12-14)17(21)10-13-4-1-2-5-13/h7-8,11,13-14H,1-6,9-10,12H2.
What are the key properties of 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone?
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone has a molecular weight of 322.84 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone is sourced from PubChem (CID 122256170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).