(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone

C19H22F2N4O — CID 163354765

IUPAC(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2cnc3ccccc3n2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H22F2N4O/c20-19(21)7-10-24(11-8-19)18(26)14-4-3-9-25(13-14)17-12-22-15-5-1-2-6-16(15)23-17/h1-2,5-6,12,14H,3-4,7-11,13H2
InChIKeyHFSONZSNCSDUOE-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.10
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone

(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone (PubChem CID 163354765) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
PubChem CID163354765
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2cnc3ccccc3n2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H22F2N4O/c20-19(21)7-10-24(11-8-19)18(26)14-4-3-9-25(13-14)17-12-22-15-5-1-2-6-16(15)23-17/h1-2,5-6,12,14H,3-4,7-11,13H2
InChIKeyHFSONZSNCSDUOE-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone (CID 163354765) is (4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone is O=C(C1CCCN(c2cnc3ccccc3n2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone?
The InChIKey is HFSONZSNCSDUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c20-19(21)7-10-24(11-8-19)18(26)14-4-3-9-25(13-14)17-12-22-15-5-1-2-6-16(15)23-17/h1-2,5-6,12,14H,3-4,7-11,13H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone has a molecular weight of 360.41 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 163354765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).