6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one

C23H24BrN3O2 — CID 3816156

IUPAC6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(c2ccc(Br)cc2)C(=O)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H24BrN3O2/c24-19-6-8-20(9-7-19)27-22(28)11-10-21(25-27)23(29)26-14-12-18(13-15-26)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2
InChIKeyOXECPYCWOVRFCZ-UHFFFAOYSA-N
MW454.37 g/mol
LogP4.41
Rot. Bonds4

About 6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one

6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one (PubChem CID 3816156) has the molecular formula C23H24BrN3O2 and a molecular weight of 454.37 g/mol. Its IUPAC name is 6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one
PubChem CID3816156
Molecular FormulaC23H24BrN3O2
Molecular Weight454.37 g/mol
Exact Mass453.11
IUPAC Name6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(c2ccc(Br)cc2)C(=O)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H24BrN3O2/c24-19-6-8-20(9-7-19)27-22(28)11-10-21(25-27)23(29)26-14-12-18(13-15-26)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2
InChIKeyOXECPYCWOVRFCZ-UHFFFAOYSA-N
XLogP4.41
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-cyclohexylpiperazine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 3997617
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
4-hydroxy-1-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxylic acid
CID 119250734
2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 941442
6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3978494
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 944260
(4-benzylpiperidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 27162681
2-(1,1-dioxothiolan-3-yl)-6-[4-(2-phenylethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 55478862
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-bromobenzenesulfonamide
CID 126148662
3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 154795486

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one (CID 3816156) is 6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one is O=C(C1=NN(c2ccc(Br)cc2)C(=O)CC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is OXECPYCWOVRFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O2/c24-19-6-8-20(9-7-19)27-22(28)11-10-21(25-27)23(29)26-14-12-18(13-15-26)16-17-4-2-1-3-5-17/h1-9,18H,10-16H2.
What are the key properties of 6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one?
6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 454.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidine-1-carbonyl)-2-(4-bromophenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 3816156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).