4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide

C22H25ClN2O3 — CID 108550145

IUPAC4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCc1cccc(OCC(=O)N2CCC(NC(=O)c3ccc(Cl)cc3)CC2)c1C
InChIInChI=1S/C22H25ClN2O3/c1-15-4-3-5-20(16(15)2)28-14-21(26)25-12-10-19(11-13-25)24-22(27)17-6-8-18(23)9-7-17/h3-9,19H,10-14H2,1-2H3,(H,24,27)
InChIKeyUGQGBOJGVGYYQS-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.76
Rot. Bonds5

About 4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide

4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide (PubChem CID 108550145) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
PubChem CID108550145
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCc1cccc(OCC(=O)N2CCC(NC(=O)c3ccc(Cl)cc3)CC2)c1C
InChIInChI=1S/C22H25ClN2O3/c1-15-4-3-5-20(16(15)2)28-14-21(26)25-12-10-19(11-13-25)24-22(27)17-6-8-18(23)9-7-17/h3-9,19H,10-14H2,1-2H3,(H,24,27)
InChIKeyUGQGBOJGVGYYQS-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554594
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551499
4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550185
2-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565064
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557840
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549210
2-chloroethyl N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565062
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549791
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552807
2-(2,3-dimethylphenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 138623960

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide (CID 108550145) is 4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide is Cc1cccc(OCC(=O)N2CCC(NC(=O)c3ccc(Cl)cc3)CC2)c1C.
What is the InChIKey of 4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The InChIKey is UGQGBOJGVGYYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-15-4-3-5-20(16(15)2)28-14-21(26)25-12-10-19(11-13-25)24-22(27)17-6-8-18(23)9-7-17/h3-9,19H,10-14H2,1-2H3,(H,24,27).
What are the key properties of 4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide has a molecular weight of 400.91 g/mol, XLogP of 3.76, 5 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-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108550145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).