1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one

C15H20N2O3 — CID 62031591

IUPAC1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)COCCCc2ccncc2)CC1
InChIInChI=1S/C15H20N2O3/c18-14-5-9-17(10-6-14)15(19)12-20-11-1-2-13-3-7-16-8-4-13/h3-4,7-8H,1-2,5-6,9-12H2
InChIKeyQXUKCHWSEQTGCQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.22
Rot. Bonds6

About 1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one

1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one (PubChem CID 62031591) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one
PubChem CID62031591
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)COCCCc2ccncc2)CC1
InChIInChI=1S/C15H20N2O3/c18-14-5-9-17(10-6-14)15(19)12-20-11-1-2-13-3-7-16-8-4-13/h3-4,7-8H,1-2,5-6,9-12H2
InChIKeyQXUKCHWSEQTGCQ-UHFFFAOYSA-N
XLogP1.22
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one
CID 60912714
1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one
CID 60684459
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62031765
ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate
CID 103484981
1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62029515
methyl 3-(3-pyridin-4-ylpropoxy)propanoate
CID 29006354
1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one
CID 62031771
2-propoxy-1-(4-pyridin-4-ylazepan-1-yl)ethanone
CID 136560407
3-pyridin-4-ylpropyl cyclopentanecarboxylate
CID 78842260
1-(pyridin-4-ylmethyl)piperidin-4-one
CID 10997815
1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidin-4-one
CID 66127240

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one (CID 62031591) is 1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one is O=C1CCN(C(=O)COCCCc2ccncc2)CC1.
What is the InChIKey of 1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one?
The InChIKey is QXUKCHWSEQTGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14-5-9-17(10-6-14)15(19)12-20-11-1-2-13-3-7-16-8-4-13/h3-4,7-8H,1-2,5-6,9-12H2.
What are the key properties of 1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one?
1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one has a molecular weight of 276.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one is sourced from PubChem (CID 62031591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).