N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide

C16H24N4O — CID 66197537

IUPACN-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CC(N3CCNCC3)C2)c1
InChIInChI=1S/C16H24N4O/c1-13-3-2-4-14(9-13)18-16(21)12-19-10-15(11-19)20-7-5-17-6-8-20/h2-4,9,15,17H,5-8,10-12H2,1H3,(H,18,21)
InChIKeyODPYXTYBNWMCBF-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.52
Rot. Bonds4

About N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide

N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide (PubChem CID 66197537) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
PubChem CID66197537
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CC(N3CCNCC3)C2)c1
InChIInChI=1S/C16H24N4O/c1-13-3-2-4-14(9-13)18-16(21)12-19-10-15(11-19)20-7-5-17-6-8-20/h2-4,9,15,17H,5-8,10-12H2,1H3,(H,18,21)
InChIKeyODPYXTYBNWMCBF-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-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 171327671
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride
CID 119915581
N-cyclopropyl-1-[2-(3-methylanilino)-2-oxoethyl]azetidine-3-carboxamide
CID 171327777
N-[3-(dimethylamino)phenyl]-2-piperazin-1-ylacetamide
CID 115377065
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide (CID 66197537) is N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide is Cc1cccc(NC(=O)CN2CC(N3CCNCC3)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide?
The InChIKey is ODPYXTYBNWMCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-3-2-4-14(9-13)18-16(21)12-19-10-15(11-19)20-7-5-17-6-8-20/h2-4,9,15,17H,5-8,10-12H2,1H3,(H,18,21).
What are the key properties of N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide?
N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)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 N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide is sourced from PubChem (CID 66197537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).