1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one

C14H19F3N4O — CID 71999805

IUPAC1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one
SMILESCN1CCC(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1=O
InChIInChI=1S/C14H19F3N4O/c1-20-5-4-10(13(20)22)21-6-2-9(3-7-21)12-18-8-11(19-12)14(15,16)17/h8-10H,2-7H2,1H3,(H,18,19)
InChIKeyPRKLBVCMERDQHU-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.84
Rot. Bonds2

About 1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one

1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one (PubChem CID 71999805) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one
PubChem CID71999805
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one
SMILESCN1CCC(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1=O
InChIInChI=1S/C14H19F3N4O/c1-20-5-4-10(13(20)22)21-6-2-9(3-7-21)12-18-8-11(19-12)14(15,16)17/h8-10H,2-7H2,1H3,(H,18,19)
InChIKeyPRKLBVCMERDQHU-UHFFFAOYSA-N
XLogP1.84
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one (CID 71999805) is 1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one is CN1CCC(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1=O.
What is the InChIKey of 1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is PRKLBVCMERDQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-20-5-4-10(13(20)22)21-6-2-9(3-7-21)12-18-8-11(19-12)14(15,16)17/h8-10H,2-7H2,1H3,(H,18,19).
What are the key properties of 1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one?
1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 316.33 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 71999805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).