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

C17H24FN3OS — CID 126899771

IUPAC1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2csc(C3CC3)n2)CC1
InChIInChI=1S/C17H24FN3OS/c18-8-12-7-16(22)21(9-12)15-3-5-20(6-4-15)10-14-11-23-17(19-14)13-1-2-13/h11-13,15H,1-10H2
InChIKeyFDJUBSOSUREYRV-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.80
Rot. Bonds5

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

1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899771) has the molecular formula C17H24FN3OS and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899771
Molecular FormulaC17H24FN3OS
Molecular Weight337.46 g/mol
Exact Mass337.16
IUPAC Name1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(Cc2csc(C3CC3)n2)CC1
InChIInChI=1S/C17H24FN3OS/c18-8-12-7-16(22)21(9-12)15-3-5-20(6-4-15)10-14-11-23-17(19-14)13-1-2-13/h11-13,15H,1-10H2
InChIKeyFDJUBSOSUREYRV-UHFFFAOYSA-N
XLogP2.80
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899771) is 1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(Cc2csc(C3CC3)n2)CC1.
What is the InChIKey of 1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is FDJUBSOSUREYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3OS/c18-8-12-7-16(22)21(9-12)15-3-5-20(6-4-15)10-14-11-23-17(19-14)13-1-2-13/h11-13,15H,1-10H2.
What are the key properties of 1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 337.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).