2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide

C16H25N3O — CID 65449797

IUPAC2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide
SMILESCC1CN(CC(=O)NCCCc2ccccc2)CCN1
InChIInChI=1S/C16H25N3O/c1-14-12-19(11-10-17-14)13-16(20)18-9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,18,20)
InChIKeyXTFXCXUZDCPXGP-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.03
Rot. Bonds6

About 2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide

2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 65449797) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide
PubChem CID65449797
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide
SMILESCC1CN(CC(=O)NCCCc2ccccc2)CCN1
InChIInChI=1S/C16H25N3O/c1-14-12-19(11-10-17-14)13-16(20)18-9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,18,20)
InChIKeyXTFXCXUZDCPXGP-UHFFFAOYSA-N
XLogP1.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 56802208
N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide
CID 104975759
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236
2-(3-formylpiperidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 62660631
N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924667
N'-[2-(3-methylpiperazin-1-yl)acetyl]benzohydrazide
CID 65449993
(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924446
2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide
CID 65448844
ethyl 4-[[2-[(3S)-3-methylpiperazin-1-yl]acetyl]amino]butanoate
CID 104976711
2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid
CID 16807058

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide (CID 65449797) is 2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide is CC1CN(CC(=O)NCCCc2ccccc2)CCN1.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is XTFXCXUZDCPXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-14-12-19(11-10-17-14)13-16(20)18-9-5-8-15-6-3-2-4-7-15/h2-4,6-7,14,17H,5,8-13H2,1H3,(H,18,20).
What are the key properties of 2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide?
2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 65449797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).