1-(3-benzylidenepiperazin-1-yl)ethanone

C13H16N2O — CID 141001941

IUPAC1-(3-benzylidenepiperazin-1-yl)ethanone
SMILESCC(=O)N1CCNC(=Cc2ccccc2)C1
InChIInChI=1S/C13H16N2O/c1-11(16)15-8-7-14-13(10-15)9-12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3
InChIKeyGPRMFVMPFXVWRK-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.48
Rot. Bonds1

About 1-(3-benzylidenepiperazin-1-yl)ethanone

1-(3-benzylidenepiperazin-1-yl)ethanone (PubChem CID 141001941) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(3-benzylidenepiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-benzylidenepiperazin-1-yl)ethanone
PubChem CID141001941
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(3-benzylidenepiperazin-1-yl)ethanone
SMILESCC(=O)N1CCNC(=Cc2ccccc2)C1
InChIInChI=1S/C13H16N2O/c1-11(16)15-8-7-14-13(10-15)9-12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3
InChIKeyGPRMFVMPFXVWRK-UHFFFAOYSA-N
XLogP1.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one
CID 92525029
4-acetylpiperazin-2-one
CID 12744517
1-acetyl-3,5-dibenzylidenepiperidin-4-one;N-methylmethanamine
CID 67567619
(2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one
CID 39256784
(2E)-2-benzylidenepiperidin-4-one
CID 175136219
1-[(3E)-3-benzylidene-2H-indol-1-yl]ethanone
CID 24978376
methyl 4-benzylidenepiperidine-1-carboxylate
CID 22893849
(Z)-2-(4-acetylpiperazine-1-carbonyl)-3-phenylprop-2-enenitrile
CID 2435962
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
ethane;ethyl 2-(4-benzylidenepiperidin-1-yl)-2-oxoacetate
CID 91434018
1-(4-phenoxypiperazin-1-yl)ethanone;hydrochloride
CID 67980799
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylidenepiperazin-1-yl)ethanone?
The IUPAC name of 1-(3-benzylidenepiperazin-1-yl)ethanone (CID 141001941) is 1-(3-benzylidenepiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3-benzylidenepiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3-benzylidenepiperazin-1-yl)ethanone is CC(=O)N1CCNC(=Cc2ccccc2)C1.
What is the InChIKey of 1-(3-benzylidenepiperazin-1-yl)ethanone?
The InChIKey is GPRMFVMPFXVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11(16)15-8-7-14-13(10-15)9-12-5-3-2-4-6-12/h2-6,9,14H,7-8,10H2,1H3.
What are the key properties of 1-(3-benzylidenepiperazin-1-yl)ethanone?
1-(3-benzylidenepiperazin-1-yl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylidenepiperazin-1-yl)ethanone is sourced from PubChem (CID 141001941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).