2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide

C18H28N4O2 — CID 25344786

IUPAC2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)NCCCN(C)c2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-16(23)22-13-11-21(12-14-22)15-18(24)19-9-6-10-20(2)17-7-4-3-5-8-17/h3-5,7-8H,6,9-15H2,1-2H3,(H,19,24)
InChIKeySHISJJBXICEMPT-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.79
Rot. Bonds7

About 2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide

2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide (PubChem CID 25344786) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
PubChem CID25344786
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)NCCCN(C)c2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-16(23)22-13-11-21(12-14-22)15-18(24)19-9-6-10-20(2)17-7-4-3-5-8-17/h3-5,7-8H,6,9-15H2,1-2H3,(H,19,24)
InChIKeySHISJJBXICEMPT-UHFFFAOYSA-N
XLogP0.79
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide
CID 29008728
N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 30964057
2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 60503613
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 60504127
2-(4-aminopiperidin-1-yl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 79323412
ethyl 4-[N'-methyl-N-[3-(N-methylanilino)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163448
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
4-acetyl-N-ethyl-N'-[3-(N-methylanilino)propyl]piperazine-1-carboximidamide
CID 110962977
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 78814923

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide (CID 25344786) is 2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide is CC(=O)N1CCN(CC(=O)NCCCN(C)c2ccccc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide?
The InChIKey is SHISJJBXICEMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-16(23)22-13-11-21(12-14-22)15-18(24)19-9-6-10-20(2)17-7-4-3-5-8-17/h3-5,7-8H,6,9-15H2,1-2H3,(H,19,24).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide?
2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide is sourced from PubChem (CID 25344786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).