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

C22H29N3O2 — CID 2998912

IUPACN-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide
SMILESCC(NC(=O)COc1ccccc1)C(c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C22H29N3O2/c1-18(23-21(26)17-27-20-11-7-4-8-12-20)22(19-9-5-3-6-10-19)25-15-13-24(2)14-16-25/h3-12,18,22H,13-17H2,1-2H3,(H,23,26)
InChIKeyGSXGNYVFFZYRNV-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.56
Rot. Bonds7

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

N-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide (PubChem CID 2998912) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide
PubChem CID2998912
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide
SMILESCC(NC(=O)COc1ccccc1)C(c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C22H29N3O2/c1-18(23-21(26)17-27-20-11-7-4-8-12-20)22(19-9-5-3-6-10-19)25-15-13-24(2)14-16-25/h3-12,18,22H,13-17H2,1-2H3,(H,23,26)
InChIKeyGSXGNYVFFZYRNV-UHFFFAOYSA-N
XLogP2.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide (CID 2998912) is N-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide is CC(NC(=O)COc1ccccc1)C(c1ccccc1)N1CCN(C)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide?
The InChIKey is GSXGNYVFFZYRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-18(23-21(26)17-27-20-11-7-4-8-12-20)22(19-9-5-3-6-10-19)25-15-13-24(2)14-16-25/h3-12,18,22H,13-17H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide?
N-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide has a molecular weight of 367.49 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 2998912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).