2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide

C21H27N3O2 — CID 6464473

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)NC(C)c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-17(18-7-4-3-5-8-18)22-21(25)16-23-11-13-24(14-12-23)19-9-6-10-20(15-19)26-2/h3-10,15,17H,11-14,16H2,1-2H3,(H,22,25)
InChIKeyPGSQYQQAINORNZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.69
Rot. Bonds6

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 6464473) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID6464473
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCOc1cccc(N2CCN(CC(=O)NC(C)c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-17(18-7-4-3-5-8-18)22-21(25)16-23-11-13-24(14-12-23)19-9-6-10-20(15-19)26-2/h3-10,15,17H,11-14,16H2,1-2H3,(H,22,25)
InChIKeyPGSQYQQAINORNZ-UHFFFAOYSA-N
XLogP2.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide (CID 6464473) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide is COc1cccc(N2CCN(CC(=O)NC(C)c3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is PGSQYQQAINORNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17(18-7-4-3-5-8-18)22-21(25)16-23-11-13-24(14-12-23)19-9-6-10-20(15-19)26-2/h3-10,15,17H,11-14,16H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 6464473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).