N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide

C14H20F2N4O3 — CID 139018234

IUPACN-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide
SMILESCC(C)n1cc(CNC(=O)N2CCC(F)(F)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20F2N4O3/c1-9(2)20-8-10(11(21)18-13(20)23)7-17-12(22)19-5-3-14(15,16)4-6-19/h8-9H,3-7H2,1-2H3,(H,17,22)(H,18,21,23)
InChIKeyVAAFMLSCRUYQDF-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.06
Rot. Bonds3

About N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide

N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide (PubChem CID 139018234) has the molecular formula C14H20F2N4O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide
PubChem CID139018234
Molecular FormulaC14H20F2N4O3
Molecular Weight330.34 g/mol
Exact Mass330.15
IUPAC NameN-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide
SMILESCC(C)n1cc(CNC(=O)N2CCC(F)(F)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H20F2N4O3/c1-9(2)20-8-10(11(21)18-13(20)23)7-17-12(22)19-5-3-14(15,16)4-6-19/h8-9H,3-7H2,1-2H3,(H,17,22)(H,18,21,23)
InChIKeyVAAFMLSCRUYQDF-UHFFFAOYSA-N
XLogP1.06
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide?
The IUPAC name of N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide (CID 139018234) is N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide is CC(C)n1cc(CNC(=O)N2CCC(F)(F)CC2)c(=O)[nH]c1=O.
What is the InChIKey of N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide?
The InChIKey is VAAFMLSCRUYQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O3/c1-9(2)20-8-10(11(21)18-13(20)23)7-17-12(22)19-5-3-14(15,16)4-6-19/h8-9H,3-7H2,1-2H3,(H,17,22)(H,18,21,23).
What are the key properties of N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide?
N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide is sourced from PubChem (CID 139018234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).