N-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide

C24H27Cl2N3O3 — CID 161085892

IUPACN-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(=O)Cc1ccc(N2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C24H27Cl2N3O3/c1-17(30)27(2)16-20(31)14-18-6-8-19(9-7-18)28-10-12-29(13-11-28)24(32)15-21-22(25)4-3-5-23(21)26/h3-9H,10-16H2,1-2H3
InChIKeyUGMSVONUJQPTEG-UHFFFAOYSA-N
MW476.40 g/mol
LogP3.47
Rot. Bonds7

About N-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide

N-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide (PubChem CID 161085892) has the molecular formula C24H27Cl2N3O3 and a molecular weight of 476.40 g/mol. Its IUPAC name is N-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide
PubChem CID161085892
Molecular FormulaC24H27Cl2N3O3
Molecular Weight476.40 g/mol
Exact Mass475.14
IUPAC NameN-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(=O)Cc1ccc(N2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C24H27Cl2N3O3/c1-17(30)27(2)16-20(31)14-18-6-8-19(9-7-18)28-10-12-29(13-11-28)24(32)15-21-22(25)4-3-5-23(21)26/h3-9H,10-16H2,1-2H3
InChIKeyUGMSVONUJQPTEG-UHFFFAOYSA-N
XLogP3.47
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dichlorophenyl)-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]ethanone
CID 55917762
2-(2-chloro-6-fluorophenyl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8779418
1-[4-[4-[2-(2-chloro-4,6-dimethoxyphenyl)acetyl]piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propan-2-one
CID 159831282
2-(2,6-dichlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2669186
N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113171712
4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-[(3,5-difluorophenyl)methyl]benzamide
CID 58258335
4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 25126504
1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone
CID 60526232
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
CID 17494701
2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 94826197
2-cyclopentyl-1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]ethanone
CID 55567234
1-[4-[4-(2-butyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone
CID 160658958

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide?
The IUPAC name of N-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide (CID 161085892) is N-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide?
The canonical SMILES for N-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide is CC(=O)N(C)CC(=O)Cc1ccc(N2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of N-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide?
The InChIKey is UGMSVONUJQPTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O3/c1-17(30)27(2)16-20(31)14-18-6-8-19(9-7-18)28-10-12-29(13-11-28)24(32)15-21-22(25)4-3-5-23(21)26/h3-9H,10-16H2,1-2H3.
What are the key properties of N-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide?
N-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide has a molecular weight of 476.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-oxopropyl]-N-methylacetamide is sourced from PubChem (CID 161085892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).