2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide

C21H25N3O3 — CID 108557029

IUPAC2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
SMILESCCc1ccccc1OCC(=O)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H25N3O3/c1-2-16-6-3-4-8-19(16)27-15-20(25)23-18-9-12-24(13-10-18)21(26)17-7-5-11-22-14-17/h3-8,11,14,18H,2,9-10,12-13,15H2,1H3,(H,23,25)
InChIKeyBGBUKRGACYTXMD-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.44
Rot. Bonds6

About 2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide

2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 108557029) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID108557029
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
SMILESCCc1ccccc1OCC(=O)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H25N3O3/c1-2-16-6-3-4-8-19(16)27-15-20(25)23-18-9-12-24(13-10-18)21(26)17-7-5-11-22-14-17/h3-8,11,14,18H,2,9-10,12-13,15H2,1H3,(H,23,25)
InChIKeyBGBUKRGACYTXMD-UHFFFAOYSA-N
XLogP2.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924733
2-(2-ethylphenoxy)-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557033
2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108924891
2-(2-ethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108557096
N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
CID 108557028
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
CID 108557120
2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108551944
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584
[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108556647

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide (CID 108557029) is 2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide is CCc1ccccc1OCC(=O)NC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is BGBUKRGACYTXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-16-6-3-4-8-19(16)27-15-20(25)23-18-9-12-24(13-10-18)21(26)17-7-5-11-22-14-17/h3-8,11,14,18H,2,9-10,12-13,15H2,1H3,(H,23,25).
What are the key properties of 2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide?
2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108557029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).