4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one

C19H22FN5O2 — CID 126899677

IUPAC4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(N2CC(CF)CC2=O)CC1
InChIInChI=1S/C19H22FN5O2/c20-11-14-10-18(26)24(13-14)15-6-8-23(9-7-15)19(27)17-12-21-25(22-17)16-4-2-1-3-5-16/h1-5,12,14-15H,6-11,13H2
InChIKeyZRYLNODEQSXISO-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.69
Rot. Bonds4

About 4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899677) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899677
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(N2CC(CF)CC2=O)CC1
InChIInChI=1S/C19H22FN5O2/c20-11-14-10-18(26)24(13-14)15-6-8-23(9-7-15)19(27)17-12-21-25(22-17)16-4-2-1-3-5-16/h1-5,12,14-15H,6-11,13H2
InChIKeyZRYLNODEQSXISO-UHFFFAOYSA-N
XLogP1.69
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one (CID 126899677) is 4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one is O=C(c1cnn(-c2ccccc2)n1)N1CCC(N2CC(CF)CC2=O)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is ZRYLNODEQSXISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c20-11-14-10-18(26)24(13-14)15-6-8-23(9-7-15)19(27)17-12-21-25(22-17)16-4-2-1-3-5-16/h1-5,12,14-15H,6-11,13H2.
What are the key properties of 4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 371.42 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).