N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide

C19H23N3O2 — CID 1253482

IUPACN-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
SMILESCN1CCN(c2ccccc2NC(=O)COc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c1-21-11-13-22(14-12-21)18-10-6-5-9-17(18)20-19(23)15-24-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyQMFWDMLLMPKCMI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.46
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide

N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide (PubChem CID 1253482) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
PubChem CID1253482
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
SMILESCN1CCN(c2ccccc2NC(=O)COc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c1-21-11-13-22(14-12-21)18-10-6-5-9-17(18)20-19(23)15-24-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyQMFWDMLLMPKCMI-UHFFFAOYSA-N
XLogP2.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide (CID 1253482) is N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide is CN1CCN(c2ccccc2NC(=O)COc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide?
The InChIKey is QMFWDMLLMPKCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21-11-13-22(14-12-21)18-10-6-5-9-17(18)20-19(23)15-24-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide?
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide has a molecular weight of 325.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 1253482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).