2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide

C16H23N3O2 — CID 110750502

IUPAC2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide
SMILESCc1cccc(CC(=O)N2CCN(C(C)C(N)=O)CC2)c1
InChIInChI=1S/C16H23N3O2/c1-12-4-3-5-14(10-12)11-15(20)19-8-6-18(7-9-19)13(2)16(17)21/h3-5,10,13H,6-9,11H2,1-2H3,(H2,17,21)
InChIKeyAXOALXZVJRATRX-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.56
Rot. Bonds4

About 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide

2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide (PubChem CID 110750502) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide
PubChem CID110750502
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide
SMILESCc1cccc(CC(=O)N2CCN(C(C)C(N)=O)CC2)c1
InChIInChI=1S/C16H23N3O2/c1-12-4-3-5-14(10-12)11-15(20)19-8-6-18(7-9-19)13(2)16(17)21/h3-5,10,13H,6-9,11H2,1-2H3,(H2,17,21)
InChIKeyAXOALXZVJRATRX-UHFFFAOYSA-N
XLogP0.56
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide
CID 110750504
(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 95587276
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818154
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 110750495
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
2-[4-[2-(3-methylphenyl)acetyl]piperazine-1-carbonyl]benzoic acid
CID 113083261
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63125200

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide (CID 110750502) is 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide is Cc1cccc(CC(=O)N2CCN(C(C)C(N)=O)CC2)c1.
What is the InChIKey of 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide?
The InChIKey is AXOALXZVJRATRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-4-3-5-14(10-12)11-15(20)19-8-6-18(7-9-19)13(2)16(17)21/h3-5,10,13H,6-9,11H2,1-2H3,(H2,17,21).
What are the key properties of 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide?
2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide has a molecular weight of 289.38 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 110750502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).