N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

C21H26ClN3O2 — CID 8687213

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-16(17-7-9-18(22)10-8-17)23-21(26)15-24-11-13-25(14-12-24)19-5-3-4-6-20(19)27-2/h3-10,16H,11-15H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyLOLGCVJWFDFKLI-INIZCTEOSA-N
MW387.91 g/mol
LogP3.35
Rot. Bonds6

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 8687213) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID8687213
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-16(17-7-9-18(22)10-8-17)23-21(26)15-24-11-13-25(14-12-24)19-5-3-4-6-20(19)27-2/h3-10,16H,11-15H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyLOLGCVJWFDFKLI-INIZCTEOSA-N
XLogP3.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687289
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8687425
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 3955364
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 60512330
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687762
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436462
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 55353735
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8704609
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130606
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (CID 8687213) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccccc1N1CCN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is LOLGCVJWFDFKLI-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-16(17-7-9-18(22)10-8-17)23-21(26)15-24-11-13-25(14-12-24)19-5-3-4-6-20(19)27-2/h3-10,16H,11-15H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 387.91 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8687213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).