N-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid

C17H24F3N3O4S — CID 122125576

IUPACN-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1ncsc1CN1CCC(C(O)C(=O)NC2CC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O2S.C2HF3O2/c1-10-13(21-9-16-10)8-18-6-4-11(5-7-18)14(19)15(20)17-12-2-3-12;3-2(4,5)1(6)7/h9,11-12,14,19H,2-8H2,1H3,(H,17,20);(H,6,7)
InChIKeyFYBITMZUXVLLCZ-UHFFFAOYSA-N
MW423.46 g/mol
LogP1.94
Rot. Bonds5

About N-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid

N-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 122125576) has the molecular formula C17H24F3N3O4S and a molecular weight of 423.46 g/mol. Its IUPAC name is N-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID122125576
Molecular FormulaC17H24F3N3O4S
Molecular Weight423.46 g/mol
Exact Mass423.14
IUPAC NameN-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1ncsc1CN1CCC(C(O)C(=O)NC2CC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O2S.C2HF3O2/c1-10-13(21-9-16-10)8-18-6-4-11(5-7-18)14(19)15(20)17-12-2-3-12;3-2(4,5)1(6)7/h9,11-12,14,19H,2-8H2,1H3,(H,17,20);(H,6,7)
InChIKeyFYBITMZUXVLLCZ-UHFFFAOYSA-N
XLogP1.94
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid (CID 122125576) is N-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid is Cc1ncsc1CN1CCC(C(O)C(=O)NC2CC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is FYBITMZUXVLLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.C2HF3O2/c1-10-13(21-9-16-10)8-18-6-4-11(5-7-18)14(19)15(20)17-12-2-3-12;3-2(4,5)1(6)7/h9,11-12,14,19H,2-8H2,1H3,(H,17,20);(H,6,7).
What are the key properties of N-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 423.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-hydroxy-2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122125576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).