N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

C19H22F3N5O2 — CID 166379719

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1[nH]ncc1C1CCN(C(=O)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H22F3N5O2/c1-11-16(10-24-26-11)13-2-4-27(5-3-13)18(29)17(28)25-15-7-12(9-23)6-14(8-15)19(20,21)22/h6-8,10,13H,2-5,9,23H2,1H3,(H,24,26)(H,25,28)
InChIKeyJFFLYNCDWDRRAJ-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.54
Rot. Bonds3

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 166379719) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID166379719
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1[nH]ncc1C1CCN(C(=O)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H22F3N5O2/c1-11-16(10-24-26-11)13-2-4-27(5-3-13)18(29)17(28)25-15-7-12(9-23)6-14(8-15)19(20,21)22/h6-8,10,13H,2-5,9,23H2,1H3,(H,24,26)(H,25,28)
InChIKeyJFFLYNCDWDRRAJ-UHFFFAOYSA-N
XLogP2.54
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108530325
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 125120352
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
cis-(1S,2R)-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167872863
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 167973951
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
CID 120605625
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 120605651
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120605549

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide (CID 166379719) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is Cc1[nH]ncc1C1CCN(C(=O)C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is JFFLYNCDWDRRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-11-16(10-24-26-11)13-2-4-27(5-3-13)18(29)17(28)25-15-7-12(9-23)6-14(8-15)19(20,21)22/h6-8,10,13H,2-5,9,23H2,1H3,(H,24,26)(H,25,28).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 409.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 166379719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).