2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide

C24H31Cl2N3O — CID 17148718

IUPAC2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide
SMILESCCCc1ccc(C(C)NC(=O)CN2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C24H31Cl2N3O/c1-3-5-19-8-10-20(11-9-19)18(2)27-24(30)17-29-14-12-28(13-15-29)16-21-22(25)6-4-7-23(21)26/h4,6-11,18H,3,5,12-17H2,1-2H3,(H,27,30)
InChIKeyCXQOUNWHIZDHNJ-UHFFFAOYSA-N
MW448.44 g/mol
LogP4.94
Rot. Bonds8

About 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide

2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide (PubChem CID 17148718) has the molecular formula C24H31Cl2N3O and a molecular weight of 448.44 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide
PubChem CID17148718
Molecular FormulaC24H31Cl2N3O
Molecular Weight448.44 g/mol
Exact Mass447.18
IUPAC Name2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide
SMILESCCCc1ccc(C(C)NC(=O)CN2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C24H31Cl2N3O/c1-3-5-19-8-10-20(11-9-19)18(2)27-24(30)17-29-14-12-28(13-15-29)16-21-22(25)6-4-7-23(21)26/h4,6-11,18H,3,5,12-17H2,1-2H3,(H,27,30)
InChIKeyCXQOUNWHIZDHNJ-UHFFFAOYSA-N
XLogP4.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide 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-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide
CID 17148730
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22194707
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130606
1-[(2,6-dichlorophenyl)methyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 94024123
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130598
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 22195654
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323
3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 133225048
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8530025
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8710475

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide (CID 17148718) is 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide is CCCc1ccc(C(C)NC(=O)CN2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide?
The InChIKey is CXQOUNWHIZDHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2N3O/c1-3-5-19-8-10-20(11-9-19)18(2)27-24(30)17-29-14-12-28(13-15-29)16-21-22(25)6-4-7-23(21)26/h4,6-11,18H,3,5,12-17H2,1-2H3,(H,27,30).
What are the key properties of 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide?
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide has a molecular weight of 448.44 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-propylphenyl)ethyl]acetamide is sourced from PubChem (CID 17148718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).