6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one

C19H21F2N3O2 — CID 154662363

IUPAC6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one
SMILESCn1nc(CC(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)ccc1=O
InChIInChI=1S/C19H21F2N3O2/c1-23-18(25)3-2-17(22-23)12-19(26)24-6-4-13(5-7-24)8-14-9-15(20)11-16(21)10-14/h2-3,9-11,13H,4-8,12H2,1H3
InChIKeyDQWOHDGNPVWDAL-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.08
Rot. Bonds4

About 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one

6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one (PubChem CID 154662363) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one
PubChem CID154662363
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one
SMILESCn1nc(CC(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)ccc1=O
InChIInChI=1S/C19H21F2N3O2/c1-23-18(25)3-2-17(22-23)12-19(26)24-6-4-13(5-7-24)8-14-9-15(20)11-16(21)10-14/h2-3,9-11,13H,4-8,12H2,1H3
InChIKeyDQWOHDGNPVWDAL-UHFFFAOYSA-N
XLogP2.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one (CID 154662363) is 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one is Cn1nc(CC(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)ccc1=O.
What is the InChIKey of 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one?
The InChIKey is DQWOHDGNPVWDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-23-18(25)3-2-17(22-23)12-19(26)24-6-4-13(5-7-24)8-14-9-15(20)11-16(21)10-14/h2-3,9-11,13H,4-8,12H2,1H3.
What are the key properties of 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one?
6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one has a molecular weight of 361.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 154662363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).