3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide

C22H28N2O2 — CID 109032793

IUPAC3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide
SMILESCCC1CCCCN1CCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-2-18-10-8-9-16-24(18)17-15-22(25)23-20-13-6-7-14-21(20)26-19-11-4-3-5-12-19/h3-7,11-14,18H,2,8-10,15-17H2,1H3,(H,23,25)
InChIKeyUFBVOBWTTPSHRT-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.07
Rot. Bonds7

About 3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide

3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide (PubChem CID 109032793) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide
PubChem CID109032793
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide
SMILESCCC1CCCCN1CCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-2-18-10-8-9-16-24(18)17-15-22(25)23-20-13-6-7-14-21(20)26-19-11-4-3-5-12-19/h3-7,11-14,18H,2,8-10,15-17H2,1H3,(H,23,25)
InChIKeyUFBVOBWTTPSHRT-UHFFFAOYSA-N
XLogP5.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032765
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032802
3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 111476136
N-(3-chlorophenyl)-3-[(2R)-2-ethylpiperidin-1-yl]propanamide
CID 684899
N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide
CID 55482829
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677
3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
CID 108942475
3-(azepan-1-yl)-3-oxo-N-(2-phenoxyphenyl)propanamide
CID 108952746
N-(2-phenoxyphenyl)decanamide
CID 4091110
2-ethyl-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 108990892

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide (CID 109032793) is 3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide is CCC1CCCCN1CCC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide?
The InChIKey is UFBVOBWTTPSHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-18-10-8-9-16-24(18)17-15-22(25)23-20-13-6-7-14-21(20)26-19-11-4-3-5-12-19/h3-7,11-14,18H,2,8-10,15-17H2,1H3,(H,23,25).
What are the key properties of 3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide?
3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 109032793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).