3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one

C18H22F2N2O2 — CID 154754850

IUPAC3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one
SMILESO=C1C(N2CC(O)(C3CC3)C2)CCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C18H22F2N2O2/c19-14-6-3-12(15(20)8-14)9-21-7-1-2-16(17(21)23)22-10-18(24,11-22)13-4-5-13/h3,6,8,13,16,24H,1-2,4-5,7,9-11H2
InChIKeyBCSFQVHNKHRTTF-UHFFFAOYSA-N
MW336.38 g/mol
LogP1.91
Rot. Bonds4

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

3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one (PubChem CID 154754850) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one
PubChem CID154754850
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one
SMILESO=C1C(N2CC(O)(C3CC3)C2)CCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C18H22F2N2O2/c19-14-6-3-12(15(20)8-14)9-21-7-1-2-16(17(21)23)22-10-18(24,11-22)13-4-5-13/h3,6,8,13,16,24H,1-2,4-5,7,9-11H2
InChIKeyBCSFQVHNKHRTTF-UHFFFAOYSA-N
XLogP1.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-bromo-1-[(2,4-difluorophenyl)methyl]piperidin-2-one
CID 95362471
(3S)-1-[(2,4-difluorophenyl)methyl]-3-pyrimidin-2-ylsulfanylpiperidin-2-one
CID 124620830
1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 62228510
(3R)-N-[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]oxolane-3-carboxamide
CID 99832836
(3R)-1-[(2,4-difluorophenyl)methyl]-3-[(2S,3S)-2-methyloxolan-3-yl]sulfanylpiperidin-2-one
CID 99827186
5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile
CID 125138338
(3S)-1-[(2,4-difluorophenyl)methyl]-3-(1,3-oxazol-2-ylsulfanyl)piperidin-2-one
CID 124882110
(3R)-1-[(2,4-difluorophenyl)methyl]-3-pyridazin-3-ylsulfanylpiperidin-2-one
CID 124887838
1-[(2,4-difluorophenyl)methyl]-3-ethyl-1,4-diazepane-2,5-dione
CID 64882658
(3R)-1-[(2,4-difluorophenyl)methyl]-3-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-2-one
CID 124621841
1-[(2,4-difluorophenyl)methyl]-3-[3-(5-oxopyrrolidin-2-yl)anilino]piperidin-2-one
CID 154864816
(3R)-1-[(2,4-difluorophenyl)methyl]-3-[methyl(2-pyrazol-1-ylethyl)amino]piperidin-2-one
CID 99827562

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The IUPAC name of 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one (CID 154754850) is 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The canonical SMILES for 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one is O=C1C(N2CC(O)(C3CC3)C2)CCCN1Cc1ccc(F)cc1F.
What is the InChIKey of 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The InChIKey is BCSFQVHNKHRTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c19-14-6-3-12(15(20)8-14)9-21-7-1-2-16(17(21)23)22-10-18(24,11-22)13-4-5-13/h3,6,8,13,16,24H,1-2,4-5,7,9-11H2.
What are the key properties of 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one?
3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one has a molecular weight of 336.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 154754850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).