2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide

C15H21N3O2 — CID 108995714

IUPAC2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN2CCN(C=O)CC2)c1
InChIInChI=1S/C15H21N3O2/c1-13-3-2-4-14(9-13)10-16-15(20)11-17-5-7-18(12-19)8-6-17/h2-4,9,12H,5-8,10-11H2,1H3,(H,16,20)
InChIKeyWAVFZDMTDIMPTB-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.39
Rot. Bonds5

About 2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide

2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 108995714) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID108995714
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN2CCN(C=O)CC2)c1
InChIInChI=1S/C15H21N3O2/c1-13-3-2-4-14(9-13)10-16-15(20)11-17-5-7-18(12-19)8-6-17/h2-4,9,12H,5-8,10-11H2,1H3,(H,16,20)
InChIKeyWAVFZDMTDIMPTB-UHFFFAOYSA-N
XLogP0.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 111334072
N-[(2-chlorophenyl)methyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266447
N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide
CID 75370700
2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 122154551
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
N-[(3-methylphenyl)methyl]-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108945570
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 33281524
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide (CID 108995714) is 2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CN2CCN(C=O)CC2)c1.
What is the InChIKey of 2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is WAVFZDMTDIMPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-13-3-2-4-14(9-13)10-16-15(20)11-17-5-7-18(12-19)8-6-17/h2-4,9,12H,5-8,10-11H2,1H3,(H,16,20).
What are the key properties of 2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide?
2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 108995714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).