4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

C20H22N4O2 — CID 154581330

IUPAC4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESO=C(C1CC=CC1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C20H22N4O2/c25-18-14-17(19(22-21-18)15-6-2-1-3-7-15)23-10-12-24(13-11-23)20(26)16-8-4-5-9-16/h1-7,14,16H,8-13H2,(H,21,25)
InChIKeyRZYLKGGURUOPIM-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.05
Rot. Bonds3

About 4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 154581330) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
PubChem CID154581330
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESO=C(C1CC=CC1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C20H22N4O2/c25-18-14-17(19(22-21-18)15-6-2-1-3-7-15)23-10-12-24(13-11-23)20(26)16-8-4-5-9-16/h1-7,14,16H,8-13H2,(H,21,25)
InChIKeyRZYLKGGURUOPIM-UHFFFAOYSA-N
XLogP2.05
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one
CID 5158500
4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 74240607
4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one
CID 3770299
4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 154581617
4-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 124758734
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 91834549
4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 70746850
4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 91837844
4-[4-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 154581577
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516549
4-[(Z)-2-chloroethenyl]-3-phenyl-1H-pyridazin-6-one
CID 102397728

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (CID 154581330) is 4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is O=C(C1CC=CC1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1.
What is the InChIKey of 4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is RZYLKGGURUOPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-18-14-17(19(22-21-18)15-6-2-1-3-7-15)23-10-12-24(13-11-23)20(26)16-8-4-5-9-16/h1-7,14,16H,8-13H2,(H,21,25).
What are the key properties of 4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 350.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 154581330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).