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

C23H28N2O3 — CID 108549148

IUPACN-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H28N2O3/c1-3-18-6-4-5-7-21(18)28-16-22(26)25-14-12-20(13-15-25)24-23(27)19-10-8-17(2)9-11-19/h4-11,20H,3,12-16H2,1-2H3,(H,24,27)
InChIKeyGAFYSCICTLRWNU-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.36
Rot. Bonds6

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

N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide (PubChem CID 108549148) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
PubChem CID108549148
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H28N2O3/c1-3-18-6-4-5-7-21(18)28-16-22(26)25-14-12-20(13-15-25)24-23(27)19-10-8-17(2)9-11-19/h4-11,20H,3,12-16H2,1-2H3,(H,24,27)
InChIKeyGAFYSCICTLRWNU-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550185
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552086
2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550853
2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555635
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555942
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556239
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351
4-tert-butyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554170
4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554173
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide?
The IUPAC name of N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide (CID 108549148) is N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide is CCc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide?
The InChIKey is GAFYSCICTLRWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-18-6-4-5-7-21(18)28-16-22(26)25-14-12-20(13-15-25)24-23(27)19-10-8-17(2)9-11-19/h4-11,20H,3,12-16H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide?
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide has a molecular weight of 380.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 108549148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).