N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide

C15H21F3N4O3 — CID 154831059

IUPACN-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide
SMILESCn1cc(N2CCC(NC(=O)CCC(F)(F)F)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H21F3N4O3/c1-20-9-11(13(24)21(2)14(20)25)22-7-4-10(5-8-22)19-12(23)3-6-15(16,17)18/h9-10H,3-8H2,1-2H3,(H,19,23)
InChIKeyWPVBKGPAKWGCJX-UHFFFAOYSA-N
MW362.35 g/mol
LogP0.51
Rot. Bonds4

About N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide

N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide (PubChem CID 154831059) has the molecular formula C15H21F3N4O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide
PubChem CID154831059
Molecular FormulaC15H21F3N4O3
Molecular Weight362.35 g/mol
Exact Mass362.16
IUPAC NameN-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide
SMILESCn1cc(N2CCC(NC(=O)CCC(F)(F)F)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H21F3N4O3/c1-20-9-11(13(24)21(2)14(20)25)22-7-4-10(5-8-22)19-12(23)3-6-15(16,17)18/h9-10H,3-8H2,1-2H3,(H,19,23)
InChIKeyWPVBKGPAKWGCJX-UHFFFAOYSA-N
XLogP0.51
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide (CID 154831059) is N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide is Cn1cc(N2CCC(NC(=O)CCC(F)(F)F)CC2)c(=O)n(C)c1=O.
What is the InChIKey of N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide?
The InChIKey is WPVBKGPAKWGCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O3/c1-20-9-11(13(24)21(2)14(20)25)22-7-4-10(5-8-22)19-12(23)3-6-15(16,17)18/h9-10H,3-8H2,1-2H3,(H,19,23).
What are the key properties of N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide?
N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide has a molecular weight of 362.35 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 154831059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).