2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide

C15H22N4O2 — CID 108517764

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
SMILESCN(C(=O)C(=O)N1CCN(CCN)CC1)c1ccccc1
InChIInChI=1S/C15H22N4O2/c1-17(13-5-3-2-4-6-13)14(20)15(21)19-11-9-18(8-7-16)10-12-19/h2-6H,7-12,16H2,1H3
InChIKeyJWKZAYUFMXXMBM-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.25
Rot. Bonds3

About 2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide

2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide (PubChem CID 108517764) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
PubChem CID108517764
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
SMILESCN(C(=O)C(=O)N1CCN(CCN)CC1)c1ccccc1
InChIInChI=1S/C15H22N4O2/c1-17(13-5-3-2-4-6-13)14(20)15(21)19-11-9-18(8-7-16)10-12-19/h2-6H,7-12,16H2,1H3
InChIKeyJWKZAYUFMXXMBM-UHFFFAOYSA-N
XLogP-0.25
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide (CID 108517764) is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide is CN(C(=O)C(=O)N1CCN(CCN)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
The InChIKey is JWKZAYUFMXXMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17(13-5-3-2-4-6-13)14(20)15(21)19-11-9-18(8-7-16)10-12-19/h2-6H,7-12,16H2,1H3.
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide?
2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide has a molecular weight of 290.37 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide is sourced from PubChem (CID 108517764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).