(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

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
CID 163354584
cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 166603282
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 155975943
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 163354717
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358108
(3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 41015611
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165435396
morpholin-4-yl-(1-quinoxalin-2-ylazetidin-3-yl)methanone
CID 163353090
[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155976272
N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 16875992

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).