3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide

C15H23N3O2 — CID 9205006

IUPAC3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide
SMILESCc1ccc(OCCC(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C15H23N3O2/c1-13-3-5-14(6-4-13)20-12-7-15(19)16-18-10-8-17(2)9-11-18/h3-6H,7-12H2,1-2H3,(H,16,19)
InChIKeyYGEYEIWCQJODNN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.04
Rot. Bonds5

About 3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide

3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide (PubChem CID 9205006) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide
PubChem CID9205006
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide
SMILESCc1ccc(OCCC(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C15H23N3O2/c1-13-3-5-14(6-4-13)20-12-7-15(19)16-18-10-8-17(2)9-11-18/h3-6H,7-12H2,1-2H3,(H,16,19)
InChIKeyYGEYEIWCQJODNN-UHFFFAOYSA-N
XLogP1.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60634826
2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
CID 9204914
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976
3-[(4-methylphenyl)sulfonylamino]-N-(4-methylpiperazin-1-yl)propanamide
CID 9205175
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541
N-(4-methylpiperazin-1-yl)butanamide
CID 4129194
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558
3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 18273997
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
methyl 4-[3-(4-methylphenoxy)propylcarbamoyl]piperazine-1-carboxylate
CID 108881529
2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
CID 43387562
N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
CID 108881332

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide (CID 9205006) is 3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide is Cc1ccc(OCCC(=O)NN2CCN(C)CC2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is YGEYEIWCQJODNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-13-3-5-14(6-4-13)20-12-7-15(19)16-18-10-8-17(2)9-11-18/h3-6H,7-12H2,1-2H3,(H,16,19).
What are the key properties of 3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide?
3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9205006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).