2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide

C21H27N3O — CID 6466963

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCCc1ccccc1
InChIInChI=1S/C21H27N3O/c25-21(22-12-11-19-7-3-1-4-8-19)18-24-15-13-23(14-16-24)17-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,25)
InChIKeySGIOUCWDTPHXCL-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.16
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 6466963) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID6466963
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCCc1ccccc1
InChIInChI=1S/C21H27N3O/c25-21(22-12-11-19-7-3-1-4-8-19)18-24-15-13-23(14-16-24)17-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,25)
InChIKeySGIOUCWDTPHXCL-UHFFFAOYSA-N
XLogP2.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide (CID 6466963) is 2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NCCc1ccccc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is SGIOUCWDTPHXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(22-12-11-19-7-3-1-4-8-19)18-24-15-13-23(14-16-24)17-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 337.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 6466963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).