3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide

C20H31N3O3 — CID 110353409

IUPAC3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide
SMILESCCOc1ccc(C(CNC(=O)CCNC(C)=O)N2CCCCC2)cc1
InChIInChI=1S/C20H31N3O3/c1-3-26-18-9-7-17(8-10-18)19(23-13-5-4-6-14-23)15-22-20(25)11-12-21-16(2)24/h7-10,19H,3-6,11-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYSXGWXYOFOZKRC-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.25
Rot. Bonds9

About 3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide

3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide (PubChem CID 110353409) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide
PubChem CID110353409
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide
SMILESCCOc1ccc(C(CNC(=O)CCNC(C)=O)N2CCCCC2)cc1
InChIInChI=1S/C20H31N3O3/c1-3-26-18-9-7-17(8-10-18)19(23-13-5-4-6-14-23)15-22-20(25)11-12-21-16(2)24/h7-10,19H,3-6,11-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYSXGWXYOFOZKRC-UHFFFAOYSA-N
XLogP2.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112503867
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
CID 112503869
3-acetamido-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110355080
4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 55328450
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 27771241
3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea
CID 112503903
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 112503446
2-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506627
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110621715
3-(cyclohexylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 16620946
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 112503883

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
The IUPAC name of 3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide (CID 110353409) is 3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
The canonical SMILES for 3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide is CCOc1ccc(C(CNC(=O)CCNC(C)=O)N2CCCCC2)cc1.
What is the InChIKey of 3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
The InChIKey is YSXGWXYOFOZKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-26-18-9-7-17(8-10-18)19(23-13-5-4-6-14-23)15-22-20(25)11-12-21-16(2)24/h7-10,19H,3-6,11-15H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide has a molecular weight of 361.49 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide is sourced from PubChem (CID 110353409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).