N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride

C15H23ClF3N3OS — CID 119813020

IUPACN-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
SMILESCC(CC(=O)N(C)Cc1nc(C(F)(F)F)cs1)C1CCNCC1.Cl
InChIInChI=1S/C15H22F3N3OS.ClH/c1-10(11-3-5-19-6-4-11)7-14(22)21(2)8-13-20-12(9-23-13)15(16,17)18;/h9-11,19H,3-8H2,1-2H3;1H
InChIKeyLCYXEQBLUIKYSO-UHFFFAOYSA-N
MW385.88 g/mol
LogP3.57
Rot. Bonds5

About N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride

N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride (PubChem CID 119813020) has the molecular formula C15H23ClF3N3OS and a molecular weight of 385.88 g/mol. Its IUPAC name is N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
PubChem CID119813020
Molecular FormulaC15H23ClF3N3OS
Molecular Weight385.88 g/mol
Exact Mass385.12
IUPAC NameN-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
SMILESCC(CC(=O)N(C)Cc1nc(C(F)(F)F)cs1)C1CCNCC1.Cl
InChIInChI=1S/C15H22F3N3OS.ClH/c1-10(11-3-5-19-6-4-11)7-14(22)21(2)8-13-20-12(9-23-13)15(16,17)18;/h9-11,19H,3-8H2,1-2H3;1H
InChIKeyLCYXEQBLUIKYSO-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813026
N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 119891621
4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 120563759
N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 119864913
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 119813017
N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride
CID 119812988
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentanecarboxamide
CID 71983767
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119878891
N-methyl-3-piperidin-4-yl-N-(pyrazin-2-ylmethyl)butanamide;dihydrochloride
CID 119867890
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119340397
N-(furan-2-ylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119958310
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119764793

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride?
The IUPAC name of N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride (CID 119813020) is N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride.
What is the SMILES notation for N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride?
The canonical SMILES for N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride is CC(CC(=O)N(C)Cc1nc(C(F)(F)F)cs1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride?
The InChIKey is LCYXEQBLUIKYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3OS.ClH/c1-10(11-3-5-19-6-4-11)7-14(22)21(2)8-13-20-12(9-23-13)15(16,17)18;/h9-11,19H,3-8H2,1-2H3;1H.
What are the key properties of N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride?
N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride has a molecular weight of 385.88 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119813020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).