(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone

C17H24F2N4O3 — CID 163357877

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone
SMILESCOc1cc(OC)nc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C17H24F2N4O3/c1-25-13-10-14(26-2)21-16(20-13)23-7-3-4-12(11-23)15(24)22-8-5-17(18,19)6-9-22/h10,12H,3-9,11H2,1-2H3
InChIKeySCRDLYOJBDEXAE-UHFFFAOYSA-N
MW370.40 g/mol
LogP1.97
Rot. Bonds4

About (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone (PubChem CID 163357877) has the molecular formula C17H24F2N4O3 and a molecular weight of 370.40 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone
PubChem CID163357877
Molecular FormulaC17H24F2N4O3
Molecular Weight370.40 g/mol
Exact Mass370.18
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone
SMILESCOc1cc(OC)nc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C17H24F2N4O3/c1-25-13-10-14(26-2)21-16(20-13)23-7-3-4-12(11-23)15(24)22-8-5-17(18,19)6-9-22/h10,12H,3-9,11H2,1-2H3
InChIKeySCRDLYOJBDEXAE-UHFFFAOYSA-N
XLogP1.97
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone (CID 163357877) is (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone is COc1cc(OC)nc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone?
The InChIKey is SCRDLYOJBDEXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O3/c1-25-13-10-14(26-2)21-16(20-13)23-7-3-4-12(11-23)15(24)22-8-5-17(18,19)6-9-22/h10,12H,3-9,11H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone has a molecular weight of 370.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 163357877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).