[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone

C19H21ClF2N4O — CID 155976272

IUPAC[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(c2cnc3cc(Cl)ccc3n2)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H21ClF2N4O/c20-14-1-2-15-16(11-14)23-12-17(24-15)25-7-3-13(4-8-25)18(27)26-9-5-19(21,22)6-10-26/h1-2,11-13H,3-10H2
InChIKeyVXJPSYDBNBQDKL-UHFFFAOYSA-N
MW394.85 g/mol
LogP3.76
Rot. Bonds2

About [1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone

[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 155976272) has the molecular formula C19H21ClF2N4O and a molecular weight of 394.85 g/mol. Its IUPAC name is [1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID155976272
Molecular FormulaC19H21ClF2N4O
Molecular Weight394.85 g/mol
Exact Mass394.14
IUPAC Name[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCN(c2cnc3cc(Cl)ccc3n2)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H21ClF2N4O/c20-14-1-2-15-16(11-14)23-12-17(24-15)25-7-3-13(4-8-25)18(27)26-9-5-19(21,22)6-10-26/h1-2,11-13H,3-10H2
InChIKeyVXJPSYDBNBQDKL-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.85
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline
CID 172893506
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165434726
6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
CID 163354765
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 122156291
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide
CID 175649549
(4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone
CID 155975856
N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175651005
6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline
CID 171691657
(4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 155976040
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974138

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 155976272) is [1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CCN(c2cnc3cc(Cl)ccc3n2)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of [1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is VXJPSYDBNBQDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2N4O/c20-14-1-2-15-16(11-14)23-12-17(24-15)25-7-3-13(4-8-25)18(27)26-9-5-19(21,22)6-10-26/h1-2,11-13H,3-10H2.
What are the key properties of [1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 394.85 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 155976272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).