(3Z)-3-phenacylidenepiperazin-2-one

C12H12N2O2 — CID 686674

IUPAC(3Z)-3-phenacylidenepiperazin-2-one
SMILESO=C1NCCN/C1=C\C(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2/c15-11(9-4-2-1-3-5-9)8-10-12(16)14-7-6-13-10/h1-5,8,13H,6-7H2,(H,14,16)/b10-8-
InChIKeyRLNGHWOGDGZTQI-NTMALXAHSA-N
MW216.24 g/mol
LogP0.47
Rot. Bonds2

About (3Z)-3-phenacylidenepiperazin-2-one

(3Z)-3-phenacylidenepiperazin-2-one (PubChem CID 686674) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (3Z)-3-phenacylidenepiperazin-2-one.

Molecular Properties

Compound Name(3Z)-3-phenacylidenepiperazin-2-one
PubChem CID686674
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(3Z)-3-phenacylidenepiperazin-2-one
SMILESO=C1NCCN/C1=C\C(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2/c15-11(9-4-2-1-3-5-9)8-10-12(16)14-7-6-13-10/h1-5,8,13H,6-7H2,(H,14,16)/b10-8-
InChIKeyRLNGHWOGDGZTQI-NTMALXAHSA-N
XLogP0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Piperazinone, 3-(2-(4-methylphenyl)-2-oxoethylidene)-
CID 702997
Piperazinone, 3-(2-(4-bromophenyl)-2-oxoethylidene)-
CID 752768
Piperazinone, 3-(2-(4-chlorophenyl)-2-oxoethylidene)-
CID 1885197
3-amino-4-(3,5-dimethylbenzoyl)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 481009
2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile
CID 3012806
(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]prop-2-enenitrile
CID 6480025
(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-methyl-prop-2-enenitrile
CID 6480049
(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]but-2-enenitrile
CID 6480054
3-[2-(4-Fluorophenyl)-2-oxoethylidene]-2-piperazinone
CID 752789
Cyclo(6,7-en-Pro-L-Phe)
CID 11694412
cyclo(dehydrophenylalanyl-L-leucyl)
CID 6865700
3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486859

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-phenacylidenepiperazin-2-one?
The IUPAC name of (3Z)-3-phenacylidenepiperazin-2-one (CID 686674) is (3Z)-3-phenacylidenepiperazin-2-one.
What is the SMILES notation for (3Z)-3-phenacylidenepiperazin-2-one?
The canonical SMILES for (3Z)-3-phenacylidenepiperazin-2-one is O=C1NCCN/C1=C\C(=O)c1ccccc1.
What is the InChIKey of (3Z)-3-phenacylidenepiperazin-2-one?
The InChIKey is RLNGHWOGDGZTQI-NTMALXAHSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11(9-4-2-1-3-5-9)8-10-12(16)14-7-6-13-10/h1-5,8,13H,6-7H2,(H,14,16)/b10-8-.
What are the key properties of (3Z)-3-phenacylidenepiperazin-2-one?
(3Z)-3-phenacylidenepiperazin-2-one has a molecular weight of 216.24 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-phenacylidenepiperazin-2-one is sourced from PubChem (CID 686674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).