2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride

C22H23ClFN3O2 — CID 22150162

IUPAC2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)C1CCN(CCn2ncc3ccccc3c2=O)CC1
InChIInChI=1S/C22H22FN3O2.ClH/c23-19-7-5-16(6-8-19)21(27)17-9-11-25(12-10-17)13-14-26-22(28)20-4-2-1-3-18(20)15-24-26;/h1-8,15,17H,9-14H2;1H
InChIKeyUWUGCCQJWUZJSU-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.55
Rot. Bonds5

About 2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride

2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride (PubChem CID 22150162) has the molecular formula C22H23ClFN3O2 and a molecular weight of 415.90 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride.

Molecular Properties

Compound Name2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride
PubChem CID22150162
Molecular FormulaC22H23ClFN3O2
Molecular Weight415.90 g/mol
Exact Mass415.15
IUPAC Name2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)C1CCN(CCn2ncc3ccccc3c2=O)CC1
InChIInChI=1S/C22H22FN3O2.ClH/c23-19-7-5-16(6-8-19)21(27)17-9-11-25(12-10-17)13-14-26-22(28)20-4-2-1-3-18(20)15-24-26;/h1-8,15,17H,9-14H2;1H
InChIKeyUWUGCCQJWUZJSU-UHFFFAOYSA-N
XLogP3.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
CID 14882741
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
CID 13180278
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]phthalazin-1-one
CID 11428942
[1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 15290380
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione;2-piperazin-1-ylquinoline
CID 70086133
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,2-benzothiazole-3-carboxamide
CID 11742358
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione
CID 14892172
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1H-quinazoline-2,4-dione;hydrate;hydrochloride
CID 70436834
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-thieno[3,4-d]pyrimidine-2,4-dione
CID 14500398

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride?
The IUPAC name of 2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride (CID 22150162) is 2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride.
What is the SMILES notation for 2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride?
The canonical SMILES for 2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride is Cl.O=C(c1ccc(F)cc1)C1CCN(CCn2ncc3ccccc3c2=O)CC1.
What is the InChIKey of 2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride?
The InChIKey is UWUGCCQJWUZJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2.ClH/c23-19-7-5-16(6-8-19)21(27)17-9-11-25(12-10-17)13-14-26-22(28)20-4-2-1-3-18(20)15-24-26;/h1-8,15,17H,9-14H2;1H.
What are the key properties of 2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride?
2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride has a molecular weight of 415.90 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride is sourced from PubChem (CID 22150162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).