N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid

C17H26F3N3O3S — CID 154891616

IUPACN-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN(C)C(=O)CCN2CCCC(C)C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H25N3OS.C2HF3O2/c1-12-5-4-7-18(9-12)8-6-15(19)17(3)10-14-11-20-13(2)16-14;3-2(4,5)1(6)7/h11-12H,4-10H2,1-3H3;(H,6,7)
InChIKeyWNFVXAAVYNCWEP-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.17
Rot. Bonds5

About N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid

N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 154891616) has the molecular formula C17H26F3N3O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid
PubChem CID154891616
Molecular FormulaC17H26F3N3O3S
Molecular Weight409.47 g/mol
Exact Mass409.16
IUPAC NameN-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(CN(C)C(=O)CCN2CCCC(C)C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H25N3OS.C2HF3O2/c1-12-5-4-7-18(9-12)8-6-15(19)17(3)10-14-11-20-13(2)16-14;3-2(4,5)1(6)7/h11-12H,4-10H2,1-3H3;(H,6,7)
InChIKeyWNFVXAAVYNCWEP-UHFFFAOYSA-N
XLogP3.17
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817856
1-[2-(dimethylamino)ethyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 45171544
N-ethyl-1-(1,3-thiazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988838
2-methyl-N-({2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl}methyl)propanamide
CID 53149422
N-{[2-(1-butyryl-3-piperidyl)-1,3-thiazol-4-yl]methyl}-2-methylpropanamide
CID 53149435
2-methyl-N-{[2-(1-propionylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl}propanamide
CID 71842061
N-({2-[1-(2,2-Dimethylpropanoyl)-3-piperidinyl]-1,3-thiazol-4-YL}methyl)propanamide
CID 71842085
1-cyclopentyl-N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 72933035
4-Methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
CID 118744416
1-Ethyl-4-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
CID 118744417
4-Methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-propanoyl-1,4,9-triazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
CID 118744421
1,4-Dimethyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one;tris(2,2,2-trifluoroacetic acid)
CID 118747161

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid (CID 154891616) is N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid is Cc1nc(CN(C)C(=O)CCN2CCCC(C)C2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is WNFVXAAVYNCWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS.C2HF3O2/c1-12-5-4-7-18(9-12)8-6-15(19)17(3)10-14-11-20-13(2)16-14;3-2(4,5)1(6)7/h11-12H,4-10H2,1-3H3;(H,6,7).
What are the key properties of N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid?
N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 409.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylpiperidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154891616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).