(3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone

C14H23F2N3O — CID 118303179

IUPAC(3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCN1CCC([C@@H]2CCCN2C(=O)N2CC(F)(F)C2)CC1
InChIInChI=1S/C14H23F2N3O/c1-17-7-4-11(5-8-17)12-3-2-6-19(12)13(20)18-9-14(15,16)10-18/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyOCMJOLPKXCFXSF-LBPRGKRZSA-N
MW287.35 g/mol
LogP1.86
Rot. Bonds1

About (3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone

(3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 118303179) has the molecular formula C14H23F2N3O and a molecular weight of 287.35 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID118303179
Molecular FormulaC14H23F2N3O
Molecular Weight287.35 g/mol
Exact Mass287.18
IUPAC Name(3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCN1CCC([C@@H]2CCCN2C(=O)N2CC(F)(F)C2)CC1
InChIInChI=1S/C14H23F2N3O/c1-17-7-4-11(5-8-17)12-3-2-6-19(12)13(20)18-9-14(15,16)10-18/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyOCMJOLPKXCFXSF-LBPRGKRZSA-N
XLogP1.86
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 118303179) is (3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone is CN1CCC([C@@H]2CCCN2C(=O)N2CC(F)(F)C2)CC1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is OCMJOLPKXCFXSF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23F2N3O/c1-17-7-4-11(5-8-17)12-3-2-6-19(12)13(20)18-9-14(15,16)10-18/h11-12H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of (3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
(3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 287.35 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118303179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).