2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one

C19H22Cl2N4O — CID 71188435

IUPAC2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one
SMILESO=C1C=CC=NC1N=CCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H22Cl2N4O/c20-15-5-3-6-16(18(15)21)25-13-11-24(12-14-25)10-2-1-8-22-19-17(26)7-4-9-23-19/h3-9,19H,1-2,10-14H2
InChIKeyYNWJWFHVEIQXQD-UHFFFAOYSA-N
MW393.32 g/mol
LogP3.50
Rot. Bonds6

About 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one

2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one (PubChem CID 71188435) has the molecular formula C19H22Cl2N4O and a molecular weight of 393.32 g/mol. Its IUPAC name is 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one.

Molecular Properties

Compound Name2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one
PubChem CID71188435
Molecular FormulaC19H22Cl2N4O
Molecular Weight393.32 g/mol
Exact Mass392.12
IUPAC Name2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one
SMILESO=C1C=CC=NC1N=CCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H22Cl2N4O/c20-15-5-3-6-16(18(15)21)25-13-11-24(12-14-25)10-2-1-8-22-19-17(26)7-4-9-23-19/h3-9,19H,1-2,10-14H2
InChIKeyYNWJWFHVEIQXQD-UHFFFAOYSA-N
XLogP3.50
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
2-[(E)-5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentylideneamino]pyridin-3-ol
CID 11350302
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 16752492
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
CID 11200383
1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine
CID 68811205
2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one
CID 123755399
1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
CID 146025635
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-one;dihydrochloride
CID 141198642
1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine
CID 142689415
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 142773095

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one?
The IUPAC name of 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one (CID 71188435) is 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one.
What is the SMILES notation for 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one?
The canonical SMILES for 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one is O=C1C=CC=NC1N=CCCCN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one?
The InChIKey is YNWJWFHVEIQXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O/c20-15-5-3-6-16(18(15)21)25-13-11-24(12-14-25)10-2-1-8-22-19-17(26)7-4-9-23-19/h3-9,19H,1-2,10-14H2.
What are the key properties of 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one?
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one has a molecular weight of 393.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylideneamino]-2H-pyridin-3-one is sourced from PubChem (CID 71188435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).