2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide

C23H27F3N4O3S — CID 41440788

IUPAC2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide
SMILESO=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1
InChIInChI=1S/C23H27F3N4O3S/c24-23(25,26)16-7-5-11-30(14-16)21(33)15-6-4-8-17(12-15)27-19(31)13-18-20(32)28-22(34-18)29-9-2-1-3-10-29/h4,6,8,12,16,18H,1-3,5,7,9-11,13-14H2,(H,27,31)/t16-,18-/m0/s1
InChIKeyGZBIVDRLOSEIAK-WMZOPIPTSA-N
MW496.56 g/mol
LogP3.91
Rot. Bonds4

About 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide

2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 41440788) has the molecular formula C23H27F3N4O3S and a molecular weight of 496.56 g/mol. Its IUPAC name is 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide
PubChem CID41440788
Molecular FormulaC23H27F3N4O3S
Molecular Weight496.56 g/mol
Exact Mass496.18
IUPAC Name2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide
SMILESO=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1
InChIInChI=1S/C23H27F3N4O3S/c24-23(25,26)16-7-5-11-30(14-16)21(33)15-6-4-8-17(12-15)27-19(31)13-18-20(32)28-22(34-18)29-9-2-1-3-10-29/h4,6,8,12,16,18H,1-3,5,7,9-11,13-14H2,(H,27,31)/t16-,18-/m0/s1
InChIKeyGZBIVDRLOSEIAK-WMZOPIPTSA-N
XLogP3.91
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55374570
N-[3-(azetidine-1-carbonyl)phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7874464
N-[3-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7874466
N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 40847227
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43021146
N-cycloheptyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 41203800
N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46601666
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 46531753
N-(4-chlorophenyl)-3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40972701
N-[4-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7612301
N-(4-ethylphenyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46531785
2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-[(pyrimidin-2-ylamino)carbamoyl]phenyl]acetamide
CID 55565452

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide (CID 41440788) is 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide is O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1.
What is the InChIKey of 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is GZBIVDRLOSEIAK-WMZOPIPTSA-N. The full InChI is InChI=1S/C23H27F3N4O3S/c24-23(25,26)16-7-5-11-30(14-16)21(33)15-6-4-8-17(12-15)27-19(31)13-18-20(32)28-22(34-18)29-9-2-1-3-10-29/h4,6,8,12,16,18H,1-3,5,7,9-11,13-14H2,(H,27,31)/t16-,18-/m0/s1.
What are the key properties of 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide?
2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 496.56 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]-N-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 41440788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).