N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride

C16H23ClF3N3O2 — CID 120889204

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc(C(F)(F)F)nc2C)CCNCC1.Cl
InChIInChI=1S/C16H22F3N3O2.ClH/c1-11-12(3-4-13(22-11)16(17,18)19)14(23)21-9-15(10-24-2)5-7-20-8-6-15;/h3-4,20H,5-10H2,1-2H3,(H,21,23);1H
InChIKeyOTXHNCQZDNZSJI-UHFFFAOYSA-N
MW381.83 g/mol
LogP2.58
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 120889204) has the molecular formula C16H23ClF3N3O2 and a molecular weight of 381.83 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID120889204
Molecular FormulaC16H23ClF3N3O2
Molecular Weight381.83 g/mol
Exact Mass381.14
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc(C(F)(F)F)nc2C)CCNCC1.Cl
InChIInChI=1S/C16H22F3N3O2.ClH/c1-11-12(3-4-13(22-11)16(17,18)19)14(23)21-9-15(10-24-2)5-7-20-8-6-15;/h3-4,20H,5-10H2,1-2H3,(H,21,23);1H
InChIKeyOTXHNCQZDNZSJI-UHFFFAOYSA-N
XLogP2.58
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 120888541
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 120888542
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 120890315
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
2-bromo-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891841
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120892003
5-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 120887918
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-nitrobenzamide;hydrochloride
CID 120887351
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120888736

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride (CID 120889204) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride is COCC1(CNC(=O)c2ccc(C(F)(F)F)nc2C)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is OTXHNCQZDNZSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2.ClH/c1-11-12(3-4-13(22-11)16(17,18)19)14(23)21-9-15(10-24-2)5-7-20-8-6-15;/h3-4,20H,5-10H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 381.83 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120889204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).