1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one

C16H24N2O2 — CID 53150958

IUPAC1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-3-16(19)18-11-6-14(7-12-18)8-13-20-15-4-9-17-10-5-15/h4-5,9-10,14H,2-3,6-8,11-13H2,1H3
InChIKeyHRNCUNNEIKGFSW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.89
Rot. Bonds6

About 1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one

1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one (PubChem CID 53150958) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one
PubChem CID53150958
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-3-16(19)18-11-6-14(7-12-18)8-13-20-15-4-9-17-10-5-15/h4-5,9-10,14H,2-3,6-8,11-13H2,1H3
InChIKeyHRNCUNNEIKGFSW-UHFFFAOYSA-N
XLogP2.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone
CID 53150962
4-(3-pyridin-4-yloxypropyl)piperidine-1-carboxylic acid
CID 154254683
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
4-(2-cyclopropylethoxy)pyridine
CID 174949801
N-benzyl-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
CID 53150970
N-(2-methoxyphenyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
CID 53150975
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
4-(2-cyclopentylethoxy)pyridine
CID 91320777
[3-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91919964
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42516784
3-(1-butanoylpiperidin-4-yl)propanamide
CID 166192887

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one (CID 53150958) is 1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(CCOc2ccncc2)CC1.
What is the InChIKey of 1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one?
The InChIKey is HRNCUNNEIKGFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-16(19)18-11-6-14(7-12-18)8-13-20-15-4-9-17-10-5-15/h4-5,9-10,14H,2-3,6-8,11-13H2,1H3.
What are the key properties of 1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one?
1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 53150958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).