(4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide

C14H20F3N3OS — CID 99827696

IUPAC(4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1cnc(CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)s1
InChIInChI=1S/C14H20F3N3OS/c1-9-6-18-11(22-9)7-19-12(21)20-5-4-10(14(15,16)17)13(2,3)8-20/h6,10H,4-5,7-8H2,1-3H3,(H,19,21)/t10-/m1/s1
InChIKeyYSOOCKCUCXTBFT-SNVBAGLBSA-N
MW335.40 g/mol
LogP3.57
Rot. Bonds2

About (4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide

(4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 99827696) has the molecular formula C14H20F3N3OS and a molecular weight of 335.40 g/mol. Its IUPAC name is (4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID99827696
Molecular FormulaC14H20F3N3OS
Molecular Weight335.40 g/mol
Exact Mass335.13
IUPAC Name(4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1cnc(CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)s1
InChIInChI=1S/C14H20F3N3OS/c1-9-6-18-11(22-9)7-19-12(21)20-5-4-10(14(15,16)17)13(2,3)8-20/h6,10H,4-5,7-8H2,1-3H3,(H,19,21)/t10-/m1/s1
InChIKeyYSOOCKCUCXTBFT-SNVBAGLBSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128674210
2-(2,7-Diazaspiro[3.5]nonan-7-ylmethyl)-5-(difluoromethyl)-1,3-thiazole
CID 168205126
1-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 84585073
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 97218922
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 97218923
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 97218924
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 97218925
(4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99827606
(4R)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99827607
(4S)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99827695
1-[(5-Methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 103710061
4-hydroxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 109971325

Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide (CID 99827696) is (4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide is Cc1cnc(CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)s1.
What is the InChIKey of (4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is YSOOCKCUCXTBFT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20F3N3OS/c1-9-6-18-11(22-9)7-19-12(21)20-5-4-10(14(15,16)17)13(2,3)8-20/h6,10H,4-5,7-8H2,1-3H3,(H,19,21)/t10-/m1/s1.
What are the key properties of (4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
(4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 99827696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).