2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide

C14H20F3N3OS — CID 154800609

IUPAC2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1csc(C(NC(=O)CC2CCN(C)CC2)C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3OS/c1-9-8-22-13(18-9)12(14(15,16)17)19-11(21)7-10-3-5-20(2)6-4-10/h8,10,12H,3-7H2,1-2H3,(H,19,21)
InChIKeyJJBSMGCBILUZFU-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.90
Rot. Bonds4

About 2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide

2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 154800609) has the molecular formula C14H20F3N3OS and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID154800609
Molecular FormulaC14H20F3N3OS
Molecular Weight335.40 g/mol
Exact Mass335.13
IUPAC Name2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1csc(C(NC(=O)CC2CCN(C)CC2)C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3OS/c1-9-8-22-13(18-9)12(14(15,16)17)19-11(21)7-10-3-5-20(2)6-4-10/h8,10,12H,3-7H2,1-2H3,(H,19,21)
InChIKeyJJBSMGCBILUZFU-UHFFFAOYSA-N
XLogP2.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpiperidin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110754699
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 79614754
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119894159
1-(2-methylpyrimidin-5-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 126818462
2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 166224937
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 110754677
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide
CID 72884358
1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 154760224
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119875889
N-(1-hydroxy-1,1-diphenylpropan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 156609416
1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]urea
CID 96520122

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 154800609) is 2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide is Cc1csc(C(NC(=O)CC2CCN(C)CC2)C(F)(F)F)n1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is JJBSMGCBILUZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3OS/c1-9-8-22-13(18-9)12(14(15,16)17)19-11(21)7-10-3-5-20(2)6-4-10/h8,10,12H,3-7H2,1-2H3,(H,19,21).
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide?
2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 154800609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).