N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide

C15H21FN4OS — CID 165432230

IUPACN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(c2nc(C3CC3)ns2)CC1)C1CC1
InChIInChI=1S/C15H21FN4OS/c16-15(9-17-13(21)11-3-4-11)5-7-20(8-6-15)14-18-12(19-22-14)10-1-2-10/h10-11H,1-9H2,(H,17,21)
InChIKeyJPJHGQODDYYWKC-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.25
Rot. Bonds5

About N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 165432230) has the molecular formula C15H21FN4OS and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID165432230
Molecular FormulaC15H21FN4OS
Molecular Weight324.43 g/mol
Exact Mass324.14
IUPAC NameN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(c2nc(C3CC3)ns2)CC1)C1CC1
InChIInChI=1S/C15H21FN4OS/c16-15(9-17-13(21)11-3-4-11)5-7-20(8-6-15)14-18-12(19-22-14)10-1-2-10/h10-11H,1-9H2,(H,17,21)
InChIKeyJPJHGQODDYYWKC-UHFFFAOYSA-N
XLogP2.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide (CID 165432230) is N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide is O=C(NCC1(F)CCN(c2nc(C3CC3)ns2)CC1)C1CC1.
What is the InChIKey of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is JPJHGQODDYYWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4OS/c16-15(9-17-13(21)11-3-4-11)5-7-20(8-6-15)14-18-12(19-22-14)10-1-2-10/h10-11H,1-9H2,(H,17,21).
What are the key properties of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 165432230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).