N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride

C25H28Cl3N3O3 — CID 68882227

IUPACN-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1.Cl
InChIInChI=1S/C25H27Cl2N3O3.ClH/c1-17(31)28-23-8-6-19(16-24(23)33-14-13-29-10-3-2-4-11-29)30-12-9-20(25(30)32)18-5-7-21(26)22(27)15-18;/h5-9,15-16H,2-4,10-14H2,1H3,(H,28,31);1H
InChIKeyMISLLBGHUWDESG-UHFFFAOYSA-N
MW524.88 g/mol
LogP5.67
Rot. Bonds7

About N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride

N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride (PubChem CID 68882227) has the molecular formula C25H28Cl3N3O3 and a molecular weight of 524.88 g/mol. Its IUPAC name is N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride
PubChem CID68882227
Molecular FormulaC25H28Cl3N3O3
Molecular Weight524.88 g/mol
Exact Mass523.12
IUPAC NameN-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1.Cl
InChIInChI=1S/C25H27Cl2N3O3.ClH/c1-17(31)28-23-8-6-19(16-24(23)33-14-13-29-10-3-2-4-11-29)30-12-9-20(25(30)32)18-5-7-21(26)22(27)15-18;/h5-9,15-16H,2-4,10-14H2,1H3,(H,28,31);1H
InChIKeyMISLLBGHUWDESG-UHFFFAOYSA-N
XLogP5.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.88
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride 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

4-(3,4-dichlorophenyl)-1-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2H-pyrrol-5-one
CID 11225281
4-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 24887290
1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 24887970
1-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-(4-methylphenyl)-2H-pyrrol-5-one;hydrochloride
CID 68882069
N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 135469605
6,7-dichloro-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one;hydrochloride
CID 10346748
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 66927767
acetylene;methanol;1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(4-phenylphenoxy)-2H-pyrrol-5-one
CID 144585868
1-[4-chloro-3-(2-piperidin-1-ylethoxy)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxypyrrolidin-2-one
CID 24887521
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
CID 67203920
2,6-dichloro-3-(2-pyrrolidin-1-ylethoxy)benzoic acid;hydrochloride
CID 67768016
methyl 2,6-dichloro-3-(2-pyrrolidin-1-ylethoxy)benzoate
CID 54055500

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride (CID 68882227) is N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCCN1CCCCC1.Cl.
What is the InChIKey of N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is MISLLBGHUWDESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N3O3.ClH/c1-17(31)28-23-8-6-19(16-24(23)33-14-13-29-10-3-2-4-11-29)30-12-9-20(25(30)32)18-5-7-21(26)22(27)15-18;/h5-9,15-16H,2-4,10-14H2,1H3,(H,28,31);1H.
What are the key properties of N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride?
N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 524.88 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 68882227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).