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

C16H24N4O — CID 66202371

IUPAC2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide
SMILESO=C(CN1CCN(C2CNC2)CC1)NCc1ccccc1
InChIInChI=1S/C16H24N4O/c21-16(18-10-14-4-2-1-3-5-14)13-19-6-8-20(9-7-19)15-11-17-12-15/h1-5,15,17H,6-13H2,(H,18,21)
InChIKeyOOPQSPKLQHWVTO-UHFFFAOYSA-N
MW288.39 g/mol
LogP-0.11
Rot. Bonds5

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

2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide (PubChem CID 66202371) 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-benzylacetamide.

Molecular Properties

Compound Name2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide
PubChem CID66202371
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide
SMILESO=C(CN1CCN(C2CNC2)CC1)NCc1ccccc1
InChIInChI=1S/C16H24N4O/c21-16(18-10-14-4-2-1-3-5-14)13-19-6-8-20(9-7-19)15-11-17-12-15/h1-5,15,17H,6-13H2,(H,18,21)
InChIKeyOOPQSPKLQHWVTO-UHFFFAOYSA-N
XLogP-0.11
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzylacetamide;hydrochloride
CID 120663951
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 6467232
N-benzyl-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636513
N-benzyl-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636504
2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 51104503
1-(azetidin-3-yl)-4-(2-phenylethyl)piperazine
CID 66202494

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide (CID 66202371) is 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide is O=C(CN1CCN(C2CNC2)CC1)NCc1ccccc1.
What is the InChIKey of 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide?
The InChIKey is OOPQSPKLQHWVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(18-10-14-4-2-1-3-5-14)13-19-6-8-20(9-7-19)15-11-17-12-15/h1-5,15,17H,6-13H2,(H,18,21).
What are the key properties of 2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide?
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide has a molecular weight of 288.39 g/mol, XLogP of -0.11, 5 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-benzylacetamide is sourced from PubChem (CID 66202371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).