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

C17H24F2N4O — CID 155975867

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCCc1cc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncn1
InChIInChI=1S/C17H24F2N4O/c1-2-14-11-15(21-12-20-14)22-7-3-13(4-8-22)16(24)23-9-5-17(18,19)6-10-23/h11-13H,2-10H2,1H3
InChIKeyDTZXHJTWBMAJFY-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.51
Rot. Bonds3

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

(4,4-difluoropiperidin-1-yl)-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 155975867) has the molecular formula C17H24F2N4O and a molecular weight of 338.40 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID155975867
Molecular FormulaC17H24F2N4O
Molecular Weight338.40 g/mol
Exact Mass338.19
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCCc1cc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncn1
InChIInChI=1S/C17H24F2N4O/c1-2-14-11-15(21-12-20-14)22-7-3-13(4-8-22)16(24)23-9-5-17(18,19)6-10-23/h11-13H,2-10H2,1H3
InChIKeyDTZXHJTWBMAJFY-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.51
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-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 155975867) is (4,4-difluoropiperidin-1-yl)-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone is CCc1cc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncn1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is DTZXHJTWBMAJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O/c1-2-14-11-15(21-12-20-14)22-7-3-13(4-8-22)16(24)23-9-5-17(18,19)6-10-23/h11-13H,2-10H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 338.40 g/mol, XLogP of 2.51, 3 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-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155975867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).