N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

C14H18F3N5O2 — CID 167893060

IUPACN-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCN1CCCC(N2CC(NC(=O)c3nc[nH]c3C(F)(F)F)C2)C1=O
InChIInChI=1S/C14H18F3N5O2/c1-21-4-2-3-9(13(21)24)22-5-8(6-22)20-12(23)10-11(14(15,16)17)19-7-18-10/h7-9H,2-6H2,1H3,(H,18,19)(H,20,23)
InChIKeyUYNHBAGHYWXITR-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.46
Rot. Bonds3

About N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide

N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (PubChem CID 167893060) has the molecular formula C14H18F3N5O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
PubChem CID167893060
Molecular FormulaC14H18F3N5O2
Molecular Weight345.33 g/mol
Exact Mass345.14
IUPAC NameN-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
SMILESCN1CCCC(N2CC(NC(=O)c3nc[nH]c3C(F)(F)F)C2)C1=O
InChIInChI=1S/C14H18F3N5O2/c1-21-4-2-3-9(13(21)24)22-5-8(6-22)20-12(23)10-11(14(15,16)17)19-7-18-10/h7-9H,2-6H2,1H3,(H,18,19)(H,20,23)
InChIKeyUYNHBAGHYWXITR-UHFFFAOYSA-N
XLogP0.46
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The IUPAC name of N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide (CID 167893060) is N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is CN1CCCC(N2CC(NC(=O)c3nc[nH]c3C(F)(F)F)C2)C1=O.
What is the InChIKey of N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
The InChIKey is UYNHBAGHYWXITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2/c1-21-4-2-3-9(13(21)24)22-5-8(6-22)20-12(23)10-11(14(15,16)17)19-7-18-10/h7-9H,2-6H2,1H3,(H,18,19)(H,20,23).
What are the key properties of N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide?
N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide has a molecular weight of 345.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 167893060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).