1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one

C17H26N2O2 — CID 110610379

IUPAC1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one
SMILESCCOCC1CCCN(C(=O)CCCc2cccnc2)C1
InChIInChI=1S/C17H26N2O2/c1-2-21-14-16-8-5-11-19(13-16)17(20)9-3-6-15-7-4-10-18-12-15/h4,7,10,12,16H,2-3,5-6,8-9,11,13-14H2,1H3
InChIKeyKWPUJYICSOERDT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.68
Rot. Bonds7

About 1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one

1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one (PubChem CID 110610379) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one
PubChem CID110610379
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one
SMILESCCOCC1CCCN(C(=O)CCCc2cccnc2)C1
InChIInChI=1S/C17H26N2O2/c1-2-21-14-16-8-5-11-19(13-16)17(20)9-3-6-15-7-4-10-18-12-15/h4,7,10,12,16H,2-3,5-6,8-9,11,13-14H2,1H3
InChIKeyKWPUJYICSOERDT-UHFFFAOYSA-N
XLogP2.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70742706
1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110418717
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 110416463
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
3-(2-methylpyrazol-3-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 118740370
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 125024467
3-chloro-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129497255
1-(2-chlorophenyl)-4-[3-(ethoxymethyl)piperidin-1-yl]butane-1,4-dione
CID 110610376
N-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]acetamide
CID 75461375
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one?
The IUPAC name of 1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one (CID 110610379) is 1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one?
The canonical SMILES for 1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one is CCOCC1CCCN(C(=O)CCCc2cccnc2)C1.
What is the InChIKey of 1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one?
The InChIKey is KWPUJYICSOERDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-21-14-16-8-5-11-19(13-16)17(20)9-3-6-15-7-4-10-18-12-15/h4,7,10,12,16H,2-3,5-6,8-9,11,13-14H2,1H3.
What are the key properties of 1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one?
1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 110610379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).