2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide

C17H25N3O2 — CID 110314912

IUPAC2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-13(2)17(22)18-15-6-4-14(5-7-15)16(21)12-20-10-8-19(3)9-11-20/h4-7,13H,8-12H2,1-3H3,(H,18,22)
InChIKeyGAQHRUCPLJNEHU-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.71
Rot. Bonds5

About 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide

2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide (PubChem CID 110314912) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide
PubChem CID110314912
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-13(2)17(22)18-15-6-4-14(5-7-15)16(21)12-20-10-8-19(3)9-11-20/h4-7,13H,8-12H2,1-3H3,(H,18,22)
InChIKeyGAQHRUCPLJNEHU-UHFFFAOYSA-N
XLogP1.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide
CID 110634314
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide
CID 110314916
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 71993662
2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone
CID 110634329
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide
CID 110314943
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
1-[4-(butylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862133
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide
CID 110314944
(E)-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbut-2-enamide
CID 110312545
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 43228365
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide (CID 110314912) is 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(C(=O)CN2CCN(C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide?
The InChIKey is GAQHRUCPLJNEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)17(22)18-15-6-4-14(5-7-15)16(21)12-20-10-8-19(3)9-11-20/h4-7,13H,8-12H2,1-3H3,(H,18,22).
What are the key properties of 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide?
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide is sourced from PubChem (CID 110314912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).