4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

C15H21FN4O2S — CID 126899727

IUPAC4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(N3CC(CF)CC3=O)CC2)s1
InChIInChI=1S/C15H21FN4O2S/c1-10-8-17-14(23-10)18-15(22)19-4-2-12(3-5-19)20-9-11(7-16)6-13(20)21/h8,11-12H,2-7,9H2,1H3,(H,17,18,22)
InChIKeyAGDGVKSKYKOCLV-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.27
Rot. Bonds3

About 4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 126899727) has the molecular formula C15H21FN4O2S and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID126899727
Molecular FormulaC15H21FN4O2S
Molecular Weight340.42 g/mol
Exact Mass340.14
IUPAC Name4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(N3CC(CF)CC3=O)CC2)s1
InChIInChI=1S/C15H21FN4O2S/c1-10-8-17-14(23-10)18-15(22)19-4-2-12(3-5-19)20-9-11(7-16)6-13(20)21/h8,11-12H,2-7,9H2,1H3,(H,17,18,22)
InChIKeyAGDGVKSKYKOCLV-UHFFFAOYSA-N
XLogP2.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 126899727) is 4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is Cc1cnc(NC(=O)N2CCC(N3CC(CF)CC3=O)CC2)s1.
What is the InChIKey of 4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is AGDGVKSKYKOCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2S/c1-10-8-17-14(23-10)18-15(22)19-4-2-12(3-5-19)20-9-11(7-16)6-13(20)21/h8,11-12H,2-7,9H2,1H3,(H,17,18,22).
What are the key properties of 4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126899727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).