1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one

C18H25F2N3O2 — CID 45245843

IUPAC1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
SMILESCN1CCN(CC2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1
InChIInChI=1S/C18H25F2N3O2/c1-21-8-10-22(11-9-21)13-18(25)6-3-7-23(17(18)24)12-14-4-2-5-15(19)16(14)20/h2,4-5,25H,3,6-13H2,1H3
InChIKeyOTGSGAJNAZGWDK-UHFFFAOYSA-N
MW353.41 g/mol
LogP1.07
Rot. Bonds4

About 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one

1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one (PubChem CID 45245843) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
PubChem CID45245843
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
SMILESCN1CCN(CC2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1
InChIInChI=1S/C18H25F2N3O2/c1-21-8-10-22(11-9-21)13-18(25)6-3-7-23(17(18)24)12-14-4-2-5-15(19)16(14)20/h2,4-5,25H,3,6-13H2,1H3
InChIKeyOTGSGAJNAZGWDK-UHFFFAOYSA-N
XLogP1.07
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one with MolForge

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Related Compounds

(3S)-1-[(2,3-difluorophenyl)methyl]-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxypiperidin-2-one
CID 42509603
1-[[1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]-1,4-diazepan-5-one
CID 56747319
4-[[(3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one
CID 95200271
(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]piperidin-2-one
CID 42364334
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 45253289
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(2-hydroxyethylamino)methyl]piperidin-2-one
CID 56702000
methyl 2-[[(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetate
CID 25449153
1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 45227864
(3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
CID 42415145
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45211466
(3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]piperidin-2-one
CID 25479873
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one
CID 45245861

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one (CID 45245843) is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one is CN1CCN(CC2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one?
The InChIKey is OTGSGAJNAZGWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-21-8-10-22(11-9-21)13-18(25)6-3-7-23(17(18)24)12-14-4-2-5-15(19)16(14)20/h2,4-5,25H,3,6-13H2,1H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one?
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one has a molecular weight of 353.41 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one is sourced from PubChem (CID 45245843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).