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

C16H24N2O2 — CID 53150939

IUPAC2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C16H24N2O2/c1-13(2)16(19)18-10-5-14(6-11-18)7-12-20-15-3-8-17-9-4-15/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3
InChIKeyDBJGLUFUDQTXTI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.75
Rot. Bonds5

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

2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 53150939) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one
PubChem CID53150939
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C16H24N2O2/c1-13(2)16(19)18-10-5-14(6-11-18)7-12-20-15-3-8-17-9-4-15/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3
InChIKeyDBJGLUFUDQTXTI-UHFFFAOYSA-N
XLogP2.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(Cyclopropylmethyl)piperidin-4-yl]methoxy]pyridine;hydrate
CID 44358006
2-(Pyridin-3-yl)-1-(4-(pyridin-4-yloxy)piperidin-1-yl)ethanone
CID 45489096
US10030012, Example 48
CID 78318147
US11045457, Example 50
CID 146401967
2-(3-Fluorophenyl)-1-{4-[2-(4-pyridyloxy)ethyl]piperidino}-1-ethanone
CID 53150941
2-(2-Fluorophenyl)-1-(4-{2-[(pyridin-4-yl)oxy]ethyl}piperidin-1-yl)ethan-1-one
CID 53150944
2-(4-Fluorophenoxy)-1-{4-[2-(4-pyridyloxy)ethyl]piperidino}-1-ethanone
CID 53150946
N-(4-Fluorophenyl)-4-[2-(pyridin-4-yloxy)ethyl]piperidine-1-carboxamide
CID 53150966
N-[(4-Fluorophenyl)methyl]-4-[2-(pyridin-4-yloxy)ethyl]piperidine-1-carboxamide
CID 53150982
N-(3-Fluorophenyl)-4-[2-(pyridin-4-yloxy)ethyl]piperidine-1-carboxamide
CID 53150983
1-{4-[2-(Pyridin-3-yloxy)ethyl]piperidin-1-YL}ethan-1-one
CID 53151020
(1-Methylpiperidin-3-yl)(4-(pyridin-2-yloxy)piperidin-1-yl)methanone
CID 71798592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one (CID 53150939) is 2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(CCOc2ccncc2)CC1.
What is the InChIKey of 2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is DBJGLUFUDQTXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)16(19)18-10-5-14(6-11-18)7-12-20-15-3-8-17-9-4-15/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one?
2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53150939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).