(4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone

C18H24F2N4O — CID 155975797

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncnc3c2CCC3)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H24F2N4O/c19-18(20)6-10-24(11-7-18)17(25)13-4-8-23(9-5-13)16-14-2-1-3-15(14)21-12-22-16/h12-13H,1-11H2
InChIKeyWRZZRIMKJRHSFW-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.44
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 155975797) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID155975797
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncnc3c2CCC3)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H24F2N4O/c19-18(20)6-10-24(11-7-18)17(25)13-4-8-23(9-5-13)16-14-2-1-3-15(14)21-12-22-16/h12-13H,1-11H2
InChIKeyWRZZRIMKJRHSFW-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.44
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-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone (CID 155975797) is (4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ncnc3c2CCC3)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is WRZZRIMKJRHSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O/c19-18(20)6-10-24(11-7-18)17(25)13-4-8-23(9-5-13)16-14-2-1-3-15(14)21-12-22-16/h12-13H,1-11H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 350.41 g/mol, XLogP of 2.44, 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-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155975797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).