1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C18H19F3N4O5S — CID 42653693

About 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 42653693) has the molecular formula C18H19F3N4O5S and a molecular weight of 460.43 g/mol. Its IUPAC name is 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
• PubChem CID: 42653693
• Molecular Formula: C18H19F3N4O5S
• Molecular Weight: 460.43 g/mol
• Exact Mass: 460.10
• IUPAC Name: 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
• SMILES: Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)Nc2cccc(C(F)(F)F)c2)C1
• InChI: InChI=1S/C18H19F3N4O5S/c1-10-14(16(27)24-17(28)22-10)31(29,30)25-7-3-4-11(9-25)15(26)23-13-6-2-5-12(8-13)18(19,20)21/h2,5-6,8,11H,3-4,7,9H2,1H3,(H,23,26)(H2,22,24,27,28)
• InChIKey: VBNGNXQFJBTRSI-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 132.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.43
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?

The IUPAC name of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 42653693) is 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)Nc2cccc(C(F)(F)F)c2)C1.

What is the InChIKey of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?

The InChIKey is VBNGNXQFJBTRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O5S/c1-10-14(16(27)24-17(28)22-10)31(29,30)25-7-3-4-11(9-25)15(26)23-13-6-2-5-12(8-13)18(19,20)21/h2,5-6,8,11H,3-4,7,9H2,1H3,(H,23,26)(H2,22,24,27,28).

What are the key properties of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?

1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 460.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 42653693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).