N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C20H27ClFN3O2S — CID 120631267

IUPACN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2sc(-c3ccc(F)cc3)nc2C)CCNCC1.Cl
InChIInChI=1S/C20H26FN3O2S.ClH/c1-13-17(27-18(23-13)15-4-6-16(21)7-5-15)14(2)24-19(25)20(12-26-3)8-10-22-11-9-20;/h4-7,14,22H,8-12H2,1-3H3,(H,24,25);1H
InChIKeyZTOZFPWBYTVTRR-UHFFFAOYSA-N
MW427.97 g/mol
LogP3.87
Rot. Bonds6

About N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120631267) has the molecular formula C20H27ClFN3O2S and a molecular weight of 427.97 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120631267
Molecular FormulaC20H27ClFN3O2S
Molecular Weight427.97 g/mol
Exact Mass427.15
IUPAC NameN-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2sc(-c3ccc(F)cc3)nc2C)CCNCC1.Cl
InChIInChI=1S/C20H26FN3O2S.ClH/c1-13-17(27-18(23-13)15-4-6-16(21)7-5-15)14(2)24-19(25)20(12-26-3)8-10-22-11-9-20;/h4-7,14,22H,8-12H2,1-3H3,(H,24,25);1H
InChIKeyZTOZFPWBYTVTRR-UHFFFAOYSA-N
XLogP3.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.97
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120631268
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119319611
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634609
N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617899
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621945
N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
CID 95339303
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 167787666
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119776825
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119321360
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637838
1-amino-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119750075
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride
CID 119319600

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120631267) is N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NC(C)c2sc(-c3ccc(F)cc3)nc2C)CCNCC1.Cl.
What is the InChIKey of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZTOZFPWBYTVTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2S.ClH/c1-13-17(27-18(23-13)15-4-6-16(21)7-5-15)14(2)24-19(25)20(12-26-3)8-10-22-11-9-20;/h4-7,14,22H,8-12H2,1-3H3,(H,24,25);1H.
What are the key properties of N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 427.97 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120631267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).