N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide

C17H22F3N3O3S — CID 49403449

IUPACN-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide
SMILESCc1csc(C(O)(CC(=O)N2CCCC(C(=O)NC3CC3)C2)C(F)(F)F)n1
InChIInChI=1S/C17H22F3N3O3S/c1-10-9-27-15(21-10)16(26,17(18,19)20)7-13(24)23-6-2-3-11(8-23)14(25)22-12-4-5-12/h9,11-12,26H,2-8H2,1H3,(H,22,25)
InChIKeyNTAREETVURZURZ-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.11
Rot. Bonds5

About N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide

N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide (PubChem CID 49403449) has the molecular formula C17H22F3N3O3S and a molecular weight of 405.44 g/mol. Its IUPAC name is N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide
PubChem CID49403449
Molecular FormulaC17H22F3N3O3S
Molecular Weight405.44 g/mol
Exact Mass405.13
IUPAC NameN-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide
SMILESCc1csc(C(O)(CC(=O)N2CCCC(C(=O)NC3CC3)C2)C(F)(F)F)n1
InChIInChI=1S/C17H22F3N3O3S/c1-10-9-27-15(21-10)16(26,17(18,19)20)7-13(24)23-6-2-3-11(8-23)14(25)22-12-4-5-12/h9,11-12,26H,2-8H2,1H3,(H,22,25)
InChIKeyNTAREETVURZURZ-UHFFFAOYSA-N
XLogP2.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide (CID 49403449) is N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide is Cc1csc(C(O)(CC(=O)N2CCCC(C(=O)NC3CC3)C2)C(F)(F)F)n1.
What is the InChIKey of N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide?
The InChIKey is NTAREETVURZURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O3S/c1-10-9-27-15(21-10)16(26,17(18,19)20)7-13(24)23-6-2-3-11(8-23)14(25)22-12-4-5-12/h9,11-12,26H,2-8H2,1H3,(H,22,25).
What are the key properties of N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide?
N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide has a molecular weight of 405.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 49403449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).