3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide

C14H20F3N3OS — CID 124883262

IUPAC3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
SMILESCc1ncc(CN2CC[C@@H](NC(=O)CC(F)(F)F)[C@H](C)C2)s1
InChIInChI=1S/C14H20F3N3OS/c1-9-7-20(8-11-6-18-10(2)22-11)4-3-12(9)19-13(21)5-14(15,16)17/h6,9,12H,3-5,7-8H2,1-2H3,(H,19,21)/t9-,12-/m1/s1
InChIKeySYWVYLUYTKRSJE-BXKDBHETSA-N
MW335.40 g/mol
LogP2.73
Rot. Bonds4

About 3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide

3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 124883262) has the molecular formula C14H20F3N3OS and a molecular weight of 335.40 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
PubChem CID124883262
Molecular FormulaC14H20F3N3OS
Molecular Weight335.40 g/mol
Exact Mass335.13
IUPAC Name3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
SMILESCc1ncc(CN2CC[C@@H](NC(=O)CC(F)(F)F)[C@H](C)C2)s1
InChIInChI=1S/C14H20F3N3OS/c1-9-7-20(8-11-6-18-10(2)22-11)4-3-12(9)19-13(21)5-14(15,16)17/h6,9,12H,3-5,7-8H2,1-2H3,(H,19,21)/t9-,12-/m1/s1
InChIKeySYWVYLUYTKRSJE-BXKDBHETSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-Cyclobutyl-1,3-thiazol-5-yl)methylamino]pentan-3-yl]pyrrolidin-2-one
CID 75380792
1-[3-[(2-Cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one
CID 75380796
1-[3-[(2-Cyclobutyl-1,3-thiazol-5-yl)methylamino]butyl]pyrrolidin-2-one
CID 75380800
1-{4-[(1,3-Thiazol-5-ylmethyl)amino]piperidin-1-yl}ethan-1-one
CID 62758882
1-[4-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]propan-1-one
CID 71927393
2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 75376784
(2S)-2-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide
CID 91659790
2-ethoxy-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
CID 121528468
N-[1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
CID 132287399
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-4-carboxamide
CID 136530533
(2S)-N-(2,2-difluoroethyl)-1-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 137991658
(3S)-3-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazin-2-one
CID 164632613

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide (CID 124883262) is 3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide is Cc1ncc(CN2CC[C@@H](NC(=O)CC(F)(F)F)[C@H](C)C2)s1.
What is the InChIKey of 3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is SYWVYLUYTKRSJE-BXKDBHETSA-N. The full InChI is InChI=1S/C14H20F3N3OS/c1-9-7-20(8-11-6-18-10(2)22-11)4-3-12(9)19-13(21)5-14(15,16)17/h6,9,12H,3-5,7-8H2,1-2H3,(H,19,21)/t9-,12-/m1/s1.
What are the key properties of 3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?
3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 335.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 124883262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).