(4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone

C16H22F2N4O — CID 165434645

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone
SMILESCc1nccnc1N1CCCC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C16H22F2N4O/c1-12-14(20-7-6-19-12)22-8-2-3-13(11-22)15(23)21-9-4-16(17,18)5-10-21/h6-7,13H,2-5,8-11H2,1H3
InChIKeyAAJQDFCQJIIWER-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.26
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone (PubChem CID 165434645) has the molecular formula C16H22F2N4O and a molecular weight of 324.38 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone
PubChem CID165434645
Molecular FormulaC16H22F2N4O
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone
SMILESCc1nccnc1N1CCCC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C16H22F2N4O/c1-12-14(20-7-6-19-12)22-8-2-3-13(11-22)15(23)21-9-4-16(17,18)5-10-21/h6-7,13H,2-5,8-11H2,1H3
InChIKeyAAJQDFCQJIIWER-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone (CID 165434645) is (4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone is Cc1nccnc1N1CCCC(C(=O)N2CCC(F)(F)CC2)C1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone?
The InChIKey is AAJQDFCQJIIWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O/c1-12-14(20-7-6-19-12)22-8-2-3-13(11-22)15(23)21-9-4-16(17,18)5-10-21/h6-7,13H,2-5,8-11H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 2.26, 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-(3-methylpyrazin-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 165434645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).