4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one

C14H22FN5O — CID 126899815

IUPAC4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(CCn2nccn2)CC1
InChIInChI=1S/C14H22FN5O/c15-10-12-9-14(21)19(11-12)13-1-5-18(6-2-13)7-8-20-16-3-4-17-20/h3-4,12-13H,1-2,5-11H2
InChIKeyHRTQFHLUYASMDE-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.56
Rot. Bonds5

About 4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899815) has the molecular formula C14H22FN5O and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899815
Molecular FormulaC14H22FN5O
Molecular Weight295.36 g/mol
Exact Mass295.18
IUPAC Name4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(CCn2nccn2)CC1
InChIInChI=1S/C14H22FN5O/c15-10-12-9-14(21)19(11-12)13-1-5-18(6-2-13)7-8-20-16-3-4-17-20/h3-4,12-13H,1-2,5-11H2
InChIKeyHRTQFHLUYASMDE-UHFFFAOYSA-N
XLogP0.56
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.56
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-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one (CID 126899815) is 4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(CCn2nccn2)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is HRTQFHLUYASMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5O/c15-10-12-9-14(21)19(11-12)13-1-5-18(6-2-13)7-8-20-16-3-4-17-20/h3-4,12-13H,1-2,5-11H2.
What are the key properties of 4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 295.36 g/mol, XLogP of 0.56, 5 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-(triazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).