2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide

C21H32N2O3 — CID 108555635

IUPAC2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)C(CC)CC)CC1
InChIInChI=1S/C21H32N2O3/c1-4-16(5-2)21(25)22-18-11-13-23(14-12-18)20(24)15-26-19-10-8-7-9-17(19)6-3/h7-10,16,18H,4-6,11-15H2,1-3H3,(H,22,25)
InChIKeyPTXVANRCXIVBRK-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.17
Rot. Bonds8

About 2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide

2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide (PubChem CID 108555635) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
PubChem CID108555635
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)C(CC)CC)CC1
InChIInChI=1S/C21H32N2O3/c1-4-16(5-2)21(25)22-18-11-13-23(14-12-18)20(24)15-26-19-10-8-7-9-17(19)6-3/h7-10,16,18H,4-6,11-15H2,1-3H3,(H,22,25)
InChIKeyPTXVANRCXIVBRK-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555633
2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550853
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556239
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550185
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555942
3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108555743
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555618
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552579
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552086

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide?
The IUPAC name of 2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide (CID 108555635) is 2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide is CCc1ccccc1OCC(=O)N1CCC(NC(=O)C(CC)CC)CC1.
What is the InChIKey of 2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide?
The InChIKey is PTXVANRCXIVBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-4-16(5-2)21(25)22-18-11-13-23(14-12-18)20(24)15-26-19-10-8-7-9-17(19)6-3/h7-10,16,18H,4-6,11-15H2,1-3H3,(H,22,25).
What are the key properties of 2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide?
2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide has a molecular weight of 360.50 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 108555635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).