1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one

C24H24FN3O3 — CID 31059497

IUPAC1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)nn1-c1ccccc1F
InChIInChI=1S/C24H24FN3O3/c1-16-15-21(29)22(26-28(16)20-10-6-5-9-19(20)25)24(31)27-13-11-18(12-14-27)23(30)17-7-3-2-4-8-17/h2-10,15,18,23,30H,11-14H2,1H3/t23-/m0/s1
InChIKeyULPVOAXGHSEIKN-QHCPKHFHSA-N
MW421.47 g/mol
LogP3.27
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one

1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one (PubChem CID 31059497) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one
PubChem CID31059497
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)nn1-c1ccccc1F
InChIInChI=1S/C24H24FN3O3/c1-16-15-21(29)22(26-28(16)20-10-6-5-9-19(20)25)24(31)27-13-11-18(12-14-27)23(30)17-7-3-2-4-8-17/h2-10,15,18,23,30H,11-14H2,1H3/t23-/m0/s1
InChIKeyULPVOAXGHSEIKN-QHCPKHFHSA-N
XLogP3.27
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one with MolForge

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Related Compounds

3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one;hydrochloride
CID 119519008
3-[4-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119423489
3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 56812348
3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35514756
1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one
CID 31097080
1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one
CID 51644039
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35611354
ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 31844596
3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119468055
1-(2-fluorophenyl)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-6-methylpyridazin-4-one
CID 24552263
2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55456080
(2-amino-2-oxo-1-phenylethyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 42932351

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one (CID 31059497) is 1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one is Cc1cc(=O)c(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one?
The InChIKey is ULPVOAXGHSEIKN-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-16-15-21(29)22(26-28(16)20-10-6-5-9-19(20)25)24(31)27-13-11-18(12-14-27)23(30)17-7-3-2-4-8-17/h2-10,15,18,23,30H,11-14H2,1H3/t23-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one?
1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one has a molecular weight of 421.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one is sourced from PubChem (CID 31059497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).