N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

C14H20F2N4O2 — CID 138001618

IUPACN-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)NC2CNCCC2(F)F)c(=O)[nH]1
InChIInChI=1S/C14H20F2N4O2/c1-8-10(13(22)19-9(2)18-8)3-4-12(21)20-11-7-17-6-5-14(11,15)16/h11,17H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyBLGYPYXKKDYMMN-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.43
Rot. Bonds4

About N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 138001618) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID138001618
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC NameN-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)NC2CNCCC2(F)F)c(=O)[nH]1
InChIInChI=1S/C14H20F2N4O2/c1-8-10(13(22)19-9(2)18-8)3-4-12(21)20-11-7-17-6-5-14(11,15)16/h11,17H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyBLGYPYXKKDYMMN-UHFFFAOYSA-N
XLogP0.43
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 138001618) is N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(C)c(CCC(=O)NC2CNCCC2(F)F)c(=O)[nH]1.
What is the InChIKey of N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is BLGYPYXKKDYMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-8-10(13(22)19-9(2)18-8)3-4-12(21)20-11-7-17-6-5-14(11,15)16/h11,17H,3-7H2,1-2H3,(H,20,21)(H,18,19,22).
What are the key properties of N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 314.34 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 138001618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).