2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide

C23H31N3O2 — CID 37295525

IUPAC2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
SMILESCOc1ccccc1CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-25-15-16-26(21(18-25)19-9-4-3-5-10-19)14-8-13-24-23(27)17-20-11-6-7-12-22(20)28-2/h3-7,9-12,21H,8,13-18H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyADPGZDXANXMXMO-OAQYLSRUSA-N
MW381.52 g/mol
LogP2.73
Rot. Bonds8

About 2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide

2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide (PubChem CID 37295525) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
PubChem CID37295525
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
SMILESCOc1ccccc1CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-25-15-16-26(21(18-25)19-9-4-3-5-10-19)14-8-13-24-23(27)17-20-11-6-7-12-22(20)28-2/h3-7,9-12,21H,8,13-18H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyADPGZDXANXMXMO-OAQYLSRUSA-N
XLogP2.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111340038
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 55939655
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
3-bromo-4-ethoxy-5-methoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide
CID 55620797
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 60509713
3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
CID 55620679
N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801947
2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 55620653
methyl 3-[3-(4-methyl-2-phenylpiperazin-1-yl)propylcarbamoyl]-5-nitrobenzoate
CID 55620651
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 166205908
2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 55620613

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide (CID 37295525) is 2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide is COc1ccccc1CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide?
The InChIKey is ADPGZDXANXMXMO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-25-15-16-26(21(18-25)19-9-4-3-5-10-19)14-8-13-24-23(27)17-20-11-6-7-12-22(20)28-2/h3-7,9-12,21H,8,13-18H2,1-2H3,(H,24,27)/t21-/m1/s1.
What are the key properties of 2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide?
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 37295525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).