2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide

C16H24N4O — CID 66201797

IUPAC2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C3CNC3)CC2)cc1
InChIInChI=1S/C16H24N4O/c1-13-2-4-14(5-3-13)18-16(21)12-19-6-8-20(9-7-19)15-10-17-11-15/h2-5,15,17H,6-12H2,1H3,(H,18,21)
InChIKeyWJPJJGILWWBWNW-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.52
Rot. Bonds4

About 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide

2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 66201797) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID66201797
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C3CNC3)CC2)cc1
InChIInChI=1S/C16H24N4O/c1-13-2-4-14(5-3-13)18-16(21)12-19-6-8-20(9-7-19)15-10-17-11-15/h2-5,15,17H,6-12H2,1H3,(H,18,21)
InChIKeyWJPJJGILWWBWNW-UHFFFAOYSA-N
XLogP0.52
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66201612
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide
CID 66202371
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 63874471
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
2-(2-cyanopiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 79085962
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51631928
N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66197537

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide (CID 66201797) is 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCN(C3CNC3)CC2)cc1.
What is the InChIKey of 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is WJPJJGILWWBWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-2-4-14(5-3-13)18-16(21)12-19-6-8-20(9-7-19)15-10-17-11-15/h2-5,15,17H,6-12H2,1H3,(H,18,21).
What are the key properties of 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 66201797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).