N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

C21H26ClN3O2 — CID 8587355

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)N[C@@H](C)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H26ClN3O2/c1-16(17-4-3-5-18(22)14-17)23-21(26)15-24-10-12-25(13-11-24)19-6-8-20(27-2)9-7-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyFOGUMAJWOCIJSZ-INIZCTEOSA-N
MW387.91 g/mol
LogP3.35
Rot. Bonds6

About N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 8587355) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID8587355
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)N[C@@H](C)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H26ClN3O2/c1-16(17-4-3-5-18(22)14-17)23-21(26)15-24-10-12-25(13-11-24)19-6-8-20(27-2)9-7-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyFOGUMAJWOCIJSZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8904150
N-[1-(3-chlorophenyl)ethyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4789308
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 8582775
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8530025
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8587824
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130606
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22198819
N-[1-(3-chlorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 42887409
2-(4-aminopiperidin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371581
N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655404
2-(4-benzyl-1,4-diazepan-1-yl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 18151861

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (CID 8587355) is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccc(N2CCN(CC(=O)N[C@@H](C)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is FOGUMAJWOCIJSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-16(17-4-3-5-18(22)14-17)23-21(26)15-24-10-12-25(13-11-24)19-6-8-20(27-2)9-7-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-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-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8587355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).