4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

C18H21FN4OS — CID 30864328

IUPAC4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C18H21FN4OS/c19-15-5-1-12(2-6-15)11-20-18(24)23-9-7-14(8-10-23)17-22-21-16(25-17)13-3-4-13/h1-2,5-6,13-14H,3-4,7-11H2,(H,20,24)
InChIKeyBDJJQZRJPASMIA-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.64
Rot. Bonds4

About 4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 30864328) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID30864328
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC Name4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C18H21FN4OS/c19-15-5-1-12(2-6-15)11-20-18(24)23-9-7-14(8-10-23)17-22-21-16(25-17)13-3-4-13/h1-2,5-6,13-14H,3-4,7-11H2,(H,20,24)
InChIKeyBDJJQZRJPASMIA-UHFFFAOYSA-N
XLogP3.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (CID 30864328) is 4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC(c2nnc(C3CC3)s2)CC1.
What is the InChIKey of 4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is BDJJQZRJPASMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c19-15-5-1-12(2-6-15)11-20-18(24)23-9-7-14(8-10-23)17-22-21-16(25-17)13-3-4-13/h1-2,5-6,13-14H,3-4,7-11H2,(H,20,24).
What are the key properties of 4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 30864328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).