1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone

C16H19N3O2 — CID 122255870

IUPAC1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
SMILESO=C(Cn1cccc1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C16H19N3O2/c20-16(13-18-9-1-2-10-18)19-11-3-4-15(12-19)21-14-5-7-17-8-6-14/h1-2,5-10,15H,3-4,11-13H2
InChIKeyVSMFYDJVAWXXRH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.95
Rot. Bonds4

About 1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone

1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone (PubChem CID 122255870) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone.

Molecular Properties

Compound Name1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
PubChem CID122255870
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
SMILESO=C(Cn1cccc1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C16H19N3O2/c20-16(13-18-9-1-2-10-18)19-11-3-4-15(12-19)21-14-5-7-17-8-6-14/h1-2,5-10,15H,3-4,11-13H2
InChIKeyVSMFYDJVAWXXRH-UHFFFAOYSA-N
XLogP1.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628030
3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one
CID 122255705
2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255775
2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255928
2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255770
2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 124892826
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
2-(2,4-difluorophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255916
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrrol-1-ylethanone
CID 122260410
1-(3-pyridin-4-yloxypiperidin-1-yl)but-2-en-1-one
CID 171137326

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone?
The IUPAC name of 1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone (CID 122255870) is 1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone.
What is the SMILES notation for 1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone?
The canonical SMILES for 1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone is O=C(Cn1cccc1)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of 1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone?
The InChIKey is VSMFYDJVAWXXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(13-18-9-1-2-10-18)19-11-3-4-15(12-19)21-14-5-7-17-8-6-14/h1-2,5-10,15H,3-4,11-13H2.
What are the key properties of 1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone?
1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone has a molecular weight of 285.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone is sourced from PubChem (CID 122255870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).