N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride

C15H21ClF3N3O3 — CID 120888541

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)CCNCC1.Cl
InChIInChI=1S/C15H20F3N3O3.ClH/c1-24-9-14(4-6-19-7-5-14)8-20-12(22)10-2-3-11(15(16,17)18)21-13(10)23;/h2-3,19H,4-9H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyMVPRXHYKYPUOLS-UHFFFAOYSA-N
MW383.80 g/mol
LogP1.56
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 120888541) has the molecular formula C15H21ClF3N3O3 and a molecular weight of 383.80 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID120888541
Molecular FormulaC15H21ClF3N3O3
Molecular Weight383.80 g/mol
Exact Mass383.12
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)CCNCC1.Cl
InChIInChI=1S/C15H20F3N3O3.ClH/c1-24-9-14(4-6-19-7-5-14)8-20-12(22)10-2-3-11(15(16,17)18)21-13(10)23;/h2-3,19H,4-9H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyMVPRXHYKYPUOLS-UHFFFAOYSA-N
XLogP1.56
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 120888542
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 80717407
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 120889204
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride
CID 120889018
2-bromo-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891841
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
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
4-bromo-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890726
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride (CID 120888541) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride is COCC1(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is MVPRXHYKYPUOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3.ClH/c1-24-9-14(4-6-19-7-5-14)8-20-12(22)10-2-3-11(15(16,17)18)21-13(10)23;/h2-3,19H,4-9H2,1H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 383.80 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 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-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120888541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).