1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one

C18H22N4OS — CID 86786507

IUPAC1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one
SMILESO=C1C(NC2CCN(c3nccs3)CC2)CCN1c1ccccc1
InChIInChI=1S/C18H22N4OS/c23-17-16(8-12-22(17)15-4-2-1-3-5-15)20-14-6-10-21(11-7-14)18-19-9-13-24-18/h1-5,9,13-14,16,20H,6-8,10-12H2
InChIKeyMGVJEMKNJSXFOY-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.51
Rot. Bonds4

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

1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 86786507) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one
PubChem CID86786507
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one
SMILESO=C1C(NC2CCN(c3nccs3)CC2)CCN1c1ccccc1
InChIInChI=1S/C18H22N4OS/c23-17-16(8-12-22(17)15-4-2-1-3-5-15)20-14-6-10-21(11-7-14)18-19-9-13-24-18/h1-5,9,13-14,16,20H,6-8,10-12H2
InChIKeyMGVJEMKNJSXFOY-UHFFFAOYSA-N
XLogP2.51
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159048240
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 113226644
4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide
CID 138992263
2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144744
2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
CID 90597556
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
CID 90597351
2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 90597199
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 128973363
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one (CID 86786507) is 1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one is O=C1C(NC2CCN(c3nccs3)CC2)CCN1c1ccccc1.
What is the InChIKey of 1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is MGVJEMKNJSXFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-17-16(8-12-22(17)15-4-2-1-3-5-15)20-14-6-10-21(11-7-14)18-19-9-13-24-18/h1-5,9,13-14,16,20H,6-8,10-12H2.
What are the key properties of 1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one?
1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 342.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 86786507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).