(3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one

C18H22F2N4O — CID 99827562

IUPAC(3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one
SMILESCN(CCn1cccn1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H22F2N4O/c1-22(10-11-24-9-3-7-21-24)17-4-2-8-23(18(17)25)13-14-5-6-15(19)12-16(14)20/h3,5-7,9,12,17H,2,4,8,10-11,13H2,1H3/t17-/m1/s1
InChIKeyKQPQFMFOVQZHOY-QGZVFWFLSA-N
MW348.40 g/mol
LogP2.28
Rot. Bonds6

About (3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one

(3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one (PubChem CID 99827562) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is (3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one
PubChem CID99827562
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one
SMILESCN(CCn1cccn1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H22F2N4O/c1-22(10-11-24-9-3-7-21-24)17-4-2-8-23(18(17)25)13-14-5-6-15(19)12-16(14)20/h3,5-7,9,12,17H,2,4,8,10-11,13H2,1H3/t17-/m1/s1
InChIKeyKQPQFMFOVQZHOY-QGZVFWFLSA-N
XLogP2.28
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one with MolForge

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Related Compounds

(3S)-1-[(2,4-difluorophenyl)methyl]-3-pyrimidin-2-ylsulfanylpiperidin-2-one
CID 124620830
(3R)-3-bromo-1-[(2,4-difluorophenyl)methyl]piperidin-2-one
CID 95362471
(3R)-1-[(2,4-difluorophenyl)methyl]-3-pyridazin-3-ylsulfanylpiperidin-2-one
CID 124887838
(3S)-1-[(2,4-difluorophenyl)methyl]-3-(1,3-oxazol-2-ylsulfanyl)piperidin-2-one
CID 124882110
1-[(2,4-difluorophenyl)methyl]-3-ethyl-1,4-diazepane-2,5-dione
CID 64882658
(3R)-1-[(2,4-difluorophenyl)methyl]-3-[(2S,3S)-2-methyloxolan-3-yl]sulfanylpiperidin-2-one
CID 99827186
1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 62228510
1-[(2,4-difluorophenyl)methyl]-5-[methyl-(1-methylpiperidin-4-yl)amino]azepan-2-one
CID 56853426
3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one
CID 154754850
1-[(2,4-difluorophenyl)methyl]-3-[3-(5-oxopyrrolidin-2-yl)anilino]piperidin-2-one
CID 154864816
5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile
CID 125138338
5-[(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311322

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one?
The IUPAC name of (3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one (CID 99827562) is (3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one.
What is the SMILES notation for (3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one?
The canonical SMILES for (3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one is CN(CCn1cccn1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O.
What is the InChIKey of (3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one?
The InChIKey is KQPQFMFOVQZHOY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-22(10-11-24-9-3-7-21-24)17-4-2-8-23(18(17)25)13-14-5-6-15(19)12-16(14)20/h3,5-7,9,12,17H,2,4,8,10-11,13H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one?
(3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one has a molecular weight of 348.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one is sourced from PubChem (CID 99827562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).