2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide

C21H22Cl2N2O3 — CID 108554575

IUPAC2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C21H22Cl2N2O3/c1-28-17-5-2-14(3-6-17)12-20(26)25-10-8-16(9-11-25)24-21(27)18-13-15(22)4-7-19(18)23/h2-7,13,16H,8-12H2,1H3,(H,24,27)
InChIKeyZBAYKLFUKCJETM-UHFFFAOYSA-N
MW421.32 g/mol
LogP3.97
Rot. Bonds5

About 2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide

2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide (PubChem CID 108554575) has the molecular formula C21H22Cl2N2O3 and a molecular weight of 421.32 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
PubChem CID108554575
Molecular FormulaC21H22Cl2N2O3
Molecular Weight421.32 g/mol
Exact Mass420.10
IUPAC Name2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(CC(=O)N2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C21H22Cl2N2O3/c1-28-17-5-2-14(3-6-17)12-20(26)25-10-8-16(9-11-25)24-21(27)18-13-15(22)4-7-19(18)23/h2-7,13,16H,8-12H2,1H3,(H,24,27)
InChIKeyZBAYKLFUKCJETM-UHFFFAOYSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083190
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108559283
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide
CID 108561573
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108561362
2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108554611
butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561579
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113080214
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108561610

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide (CID 108554575) is 2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide is COc1ccc(CC(=O)N2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide?
The InChIKey is ZBAYKLFUKCJETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O3/c1-28-17-5-2-14(3-6-17)12-20(26)25-10-8-16(9-11-25)24-21(27)18-13-15(22)4-7-19(18)23/h2-7,13,16H,8-12H2,1H3,(H,24,27).
What are the key properties of 2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide?
2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide has a molecular weight of 421.32 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108554575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).