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

C22H25ClN2O3 — CID 108550185

IUPAC4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25ClN2O3/c1-2-16-5-3-4-6-20(16)28-15-21(26)25-13-11-19(12-14-25)24-22(27)17-7-9-18(23)10-8-17/h3-10,19H,2,11-15H2,1H3,(H,24,27)
InChIKeyBRRRWBBRLOFTHC-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.70
Rot. Bonds6

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

4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide (PubChem CID 108550185) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
PubChem CID108550185
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H25ClN2O3/c1-2-16-5-3-4-6-20(16)28-15-21(26)25-13-11-19(12-14-25)24-22(27)17-7-9-18(23)10-8-17/h3-10,19H,2,11-15H2,1H3,(H,24,27)
InChIKeyBRRRWBBRLOFTHC-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550853
4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550145
2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555635
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
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552086
4-tert-butyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554170
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
CID 108557028
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549791
3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108555743

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide (CID 108550185) is 4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide is CCc1ccccc1OCC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The InChIKey is BRRRWBBRLOFTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-2-16-5-3-4-6-20(16)28-15-21(26)25-13-11-19(12-14-25)24-22(27)17-7-9-18(23)10-8-17/h3-10,19H,2,11-15H2,1H3,(H,24,27).
What are the key properties of 4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide?
4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide has a molecular weight of 400.91 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108550185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).