4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one

C15H22FN3OS — CID 126899762

IUPAC4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1nc(CN2CCC(N3CC(CF)CC3=O)CC2)cs1
InChIInChI=1S/C15H22FN3OS/c1-11-17-13(10-21-11)9-18-4-2-14(3-5-18)19-8-12(7-16)6-15(19)20/h10,12,14H,2-9H2,1H3
InChIKeyHGJKPICRLBBSHE-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.23
Rot. Bonds4

About 4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899762) has the molecular formula C15H22FN3OS and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899762
Molecular FormulaC15H22FN3OS
Molecular Weight311.43 g/mol
Exact Mass311.15
IUPAC Name4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1nc(CN2CCC(N3CC(CF)CC3=O)CC2)cs1
InChIInChI=1S/C15H22FN3OS/c1-11-17-13(10-21-11)9-18-4-2-14(3-5-18)19-8-12(7-16)6-15(19)20/h10,12,14H,2-9H2,1H3
InChIKeyHGJKPICRLBBSHE-UHFFFAOYSA-N
XLogP2.23
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one (CID 126899762) is 4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one is Cc1nc(CN2CCC(N3CC(CF)CC3=O)CC2)cs1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is HGJKPICRLBBSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3OS/c1-11-17-13(10-21-11)9-18-4-2-14(3-5-18)19-8-12(7-16)6-15(19)20/h10,12,14H,2-9H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 311.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).