2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine

C19H19ClN4O2 — CID 174548084

IUPAC2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine
SMILESO=C1c2ccccc2C(=O)N1C/C(Cl)=C1\CNCCN1.c1ccncc1
InChIInChI=1S/C14H14ClN3O2.C5H5N/c15-11(12-7-16-5-6-17-12)8-18-13(19)9-3-1-2-4-10(9)14(18)20;1-2-4-6-5-3-1/h1-4,16-17H,5-8H2;1-5H/b12-11-;
InChIKeyQETAKZXFDQRELA-AFEZEDKISA-N
MW370.84 g/mol
LogP2.01
Rot. Bonds2

About 2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine

2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine (PubChem CID 174548084) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine.

Molecular Properties

Compound Name2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine
PubChem CID174548084
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine
SMILESO=C1c2ccccc2C(=O)N1C/C(Cl)=C1\CNCCN1.c1ccncc1
InChIInChI=1S/C14H14ClN3O2.C5H5N/c15-11(12-7-16-5-6-17-12)8-18-13(19)9-3-1-2-4-10(9)14(18)20;1-2-4-6-5-3-1/h1-4,16-17H,5-8H2;1-5H/b12-11-;
InChIKeyQETAKZXFDQRELA-AFEZEDKISA-N
XLogP2.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
2-methylisoindole-1,3-dione;pyridine
CID 174877202
2-[2-(azetidin-3-ylidene)propyl]isoindole-1,3-dione;hydrochloride
CID 68525150
2-[2-(azetidin-3-ylidene)butyl]isoindole-1,3-dione
CID 175288610
5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid
CID 15049038
2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione
CID 134117824
2-[2-[(2S,3S)-2,3-diphenylaziridin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 101049937
2-(2-oxo-2-piperazin-1-ylethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303544
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601411
2,2-dihydroxyindene-1,3-dione;pyridine
CID 67634501
4-(1,3-dioxoisoindol-2-yl)-3-oxo-N-phenylbutanamide
CID 154148523

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine?
The IUPAC name of 2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine (CID 174548084) is 2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine.
What is the SMILES notation for 2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine?
The canonical SMILES for 2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine is O=C1c2ccccc2C(=O)N1C/C(Cl)=C1\CNCCN1.c1ccncc1.
What is the InChIKey of 2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine?
The InChIKey is QETAKZXFDQRELA-AFEZEDKISA-N. The full InChI is InChI=1S/C14H14ClN3O2.C5H5N/c15-11(12-7-16-5-6-17-12)8-18-13(19)9-3-1-2-4-10(9)14(18)20;1-2-4-6-5-3-1/h1-4,16-17H,5-8H2;1-5H/b12-11-;.
What are the key properties of 2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine?
2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine has a molecular weight of 370.84 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-chloro-2-piperazin-2-ylideneethyl]isoindole-1,3-dione;pyridine is sourced from PubChem (CID 174548084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).