1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine

C21H25F3N4O2 — CID 175288656

IUPAC1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine
SMILESCNC(=O)C1CCN(Cc2cccc(N)c2C=O)CC1.FC(F)(F)c1ccccn1
InChIInChI=1S/C15H21N3O2.C6H4F3N/c1-17-15(20)11-5-7-18(8-6-11)9-12-3-2-4-14(16)13(12)10-19;7-6(8,9)5-3-1-2-4-10-5/h2-4,10-11H,5-9,16H2,1H3,(H,17,20);1-4H
InChIKeyCCJODOVDTYPIPJ-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.14
Rot. Bonds4

About 1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine

1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine (PubChem CID 175288656) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine
PubChem CID175288656
Molecular FormulaC21H25F3N4O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC Name1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine
SMILESCNC(=O)C1CCN(Cc2cccc(N)c2C=O)CC1.FC(F)(F)c1ccccn1
InChIInChI=1S/C15H21N3O2.C6H4F3N/c1-17-15(20)11-5-7-18(8-6-11)9-12-3-2-4-14(16)13(12)10-19;7-6(8,9)5-3-1-2-4-10-5/h2-4,10-11H,5-9,16H2,1H3,(H,17,20);1-4H
InChIKeyCCJODOVDTYPIPJ-UHFFFAOYSA-N
XLogP3.14
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
1-[(3-amino-2-formylphenyl)methyl]-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 174749494
1-[(6-amino-2-formylpyrimidin-4-yl)methyl]-N-tert-butylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine
CID 174749257
1-[(2-amino-6-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 43575533
1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 112553393
1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 79582712
1-[(2-amino-4-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 114380391
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 114327054
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3316052
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194922
1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51128933

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine?
The IUPAC name of 1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine (CID 175288656) is 1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine?
The canonical SMILES for 1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine is CNC(=O)C1CCN(Cc2cccc(N)c2C=O)CC1.FC(F)(F)c1ccccn1.
What is the InChIKey of 1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine?
The InChIKey is CCJODOVDTYPIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.C6H4F3N/c1-17-15(20)11-5-7-18(8-6-11)9-12-3-2-4-14(16)13(12)10-19;7-6(8,9)5-3-1-2-4-10-5/h2-4,10-11H,5-9,16H2,1H3,(H,17,20);1-4H.
What are the key properties of 1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine?
1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine has a molecular weight of 422.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2-formylphenyl)methyl]-N-methylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine is sourced from PubChem (CID 175288656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).