(4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone

C15H20F2N4O2 — CID 165434877

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone
SMILESCOc1cc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)ncn1
InChIInChI=1S/C15H20F2N4O2/c1-23-13-8-12(18-10-19-13)21-5-2-11(9-21)14(22)20-6-3-15(16,17)4-7-20/h8,10-11H,2-7,9H2,1H3
InChIKeyZIXDKIFBMBQQDN-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.57
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone (PubChem CID 165434877) has the molecular formula C15H20F2N4O2 and a molecular weight of 326.35 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone
PubChem CID165434877
Molecular FormulaC15H20F2N4O2
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone
SMILESCOc1cc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)ncn1
InChIInChI=1S/C15H20F2N4O2/c1-23-13-8-12(18-10-19-13)21-5-2-11(9-21)14(22)20-6-3-15(16,17)4-7-20/h8,10-11H,2-7,9H2,1H3
InChIKeyZIXDKIFBMBQQDN-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone (CID 165434877) is (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone is COc1cc(N2CCC(C(=O)N3CCC(F)(F)CC3)C2)ncn1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone?
The InChIKey is ZIXDKIFBMBQQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O2/c1-23-13-8-12(18-10-19-13)21-5-2-11(9-21)14(22)20-6-3-15(16,17)4-7-20/h8,10-11H,2-7,9H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone has a molecular weight of 326.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 165434877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).