N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C16H22F3N3O2S — CID 110289669

IUPACN-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(C)CC(NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1nccs1
InChIInChI=1S/C16H22F3N3O2S/c1-10(2)9-12(14-20-5-8-25-14)21-13(23)11-3-6-22(7-4-11)15(24)16(17,18)19/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,21,23)
InChIKeyDQYQIOSBCMPCOP-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.15
Rot. Bonds5

About N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110289669) has the molecular formula C16H22F3N3O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110289669
Molecular FormulaC16H22F3N3O2S
Molecular Weight377.43 g/mol
Exact Mass377.14
IUPAC NameN-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(C)CC(NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1nccs1
InChIInChI=1S/C16H22F3N3O2S/c1-10(2)9-12(14-20-5-8-25-14)21-13(23)11-3-6-22(7-4-11)15(24)16(17,18)19/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,21,23)
InChIKeyDQYQIOSBCMPCOP-UHFFFAOYSA-N
XLogP3.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone
CID 84595435
Cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84595438
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234598
(3R)-4,4,4-trichloro-N,3-dimethyl-N-[(2R,4R)-5,5,5-trichloro-4-methyl-1-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-2-yl]butanamide
CID 163191189
N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 56911946
1-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 71683906
1-(3,5-Dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone
CID 71923329
2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71983373
2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630331
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
CID 118741819
(2S)-2-(2,2-dimethylpropanoylamino)-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 122151537
2-Amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 128877136

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110289669) is N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CC(C)CC(NC(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1nccs1.
What is the InChIKey of N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is DQYQIOSBCMPCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2S/c1-10(2)9-12(14-20-5-8-25-14)21-13(23)11-3-6-22(7-4-11)15(24)16(17,18)19/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,21,23).
What are the key properties of N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110289669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).