2-(4-benzylpiperazin-1-yl)-N-phenylacetamide

C19H23N3O — CID 934745

IUPAC2-(4-benzylpiperazin-1-yl)-N-phenylacetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C19H23N3O/c23-19(20-18-9-5-2-6-10-18)16-22-13-11-21(12-14-22)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,20,23)
InChIKeyOIQQJEDDLKTDHM-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.44
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-phenylacetamide

2-(4-benzylpiperazin-1-yl)-N-phenylacetamide (PubChem CID 934745) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-phenylacetamide
PubChem CID934745
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-phenylacetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C19H23N3O/c23-19(20-18-9-5-2-6-10-18)16-22-13-11-21(12-14-22)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,20,23)
InChIKeyOIQQJEDDLKTDHM-UHFFFAOYSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.44
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-phenylacetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-phenylacetamide (CID 934745) is 2-(4-benzylpiperazin-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-phenylacetamide is O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-phenylacetamide?
The InChIKey is OIQQJEDDLKTDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(20-18-9-5-2-6-10-18)16-22-13-11-21(12-14-22)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,20,23).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-phenylacetamide?
2-(4-benzylpiperazin-1-yl)-N-phenylacetamide has a molecular weight of 309.41 g/mol, XLogP of 2.44, 5 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-phenylacetamide is sourced from PubChem (CID 934745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).