N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

C17H21F3N4O5 — CID 155963743

IUPACN-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(C(=O)N2CCC(NC(=O)C3CC3)CC2)cc(=O)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N4O3.C2HF3O2/c1-9-16-12(8-13(20)17-9)15(22)19-6-4-11(5-7-19)18-14(21)10-2-3-10;3-2(4,5)1(6)7/h8,10-11H,2-7H2,1H3,(H,18,21)(H,16,17,20);(H,6,7)
InChIKeyBWGKSCKAZJUZLM-UHFFFAOYSA-N
MW418.37 g/mol
LogP0.84
Rot. Bonds3

About N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155963743) has the molecular formula C17H21F3N4O5 and a molecular weight of 418.37 g/mol. Its IUPAC name is N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID155963743
Molecular FormulaC17H21F3N4O5
Molecular Weight418.37 g/mol
Exact Mass418.15
IUPAC NameN-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(C(=O)N2CCC(NC(=O)C3CC3)CC2)cc(=O)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N4O3.C2HF3O2/c1-9-16-12(8-13(20)17-9)15(22)19-6-4-11(5-7-19)18-14(21)10-2-3-10;3-2(4,5)1(6)7/h8,10-11H,2-7H2,1H3,(H,18,21)(H,16,17,20);(H,6,7)
InChIKeyBWGKSCKAZJUZLM-UHFFFAOYSA-N
XLogP0.84
TPSA132.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155863054
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 154851310
N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 155963744

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (CID 155963743) is N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is Cc1nc(C(=O)N2CCC(NC(=O)C3CC3)CC2)cc(=O)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BWGKSCKAZJUZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3.C2HF3O2/c1-9-16-12(8-13(20)17-9)15(22)19-6-4-11(5-7-19)18-14(21)10-2-3-10;3-2(4,5)1(6)7/h8,10-11H,2-7H2,1H3,(H,18,21)(H,16,17,20);(H,6,7).
What are the key properties of N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 418.37 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155963743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).