4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride

C20H24Cl2F3N3O — CID 119828240

IUPAC4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
SMILESCl.Cl.NCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1
InChIInChI=1S/C20H22F3N3O.2ClH/c21-20(22,23)16-8-9-18(26-10-2-1-3-11-26)17(12-16)25-19(27)15-6-4-14(13-24)5-7-15;;/h4-9,12H,1-3,10-11,13,24H2,(H,25,27);2*1H
InChIKeyONVHHPXQTJQLGX-UHFFFAOYSA-N
MW450.33 g/mol
LogP5.25
Rot. Bonds4

About 4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride

4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride (PubChem CID 119828240) has the molecular formula C20H24Cl2F3N3O and a molecular weight of 450.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
PubChem CID119828240
Molecular FormulaC20H24Cl2F3N3O
Molecular Weight450.33 g/mol
Exact Mass449.12
IUPAC Name4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
SMILESCl.Cl.NCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1
InChIInChI=1S/C20H22F3N3O.2ClH/c21-20(22,23)16-8-9-18(26-10-2-1-3-11-26)17(12-16)25-19(27)15-6-4-14(13-24)5-7-15;;/h4-9,12H,1-3,10-11,13,24H2,(H,25,27);2*1H
InChIKeyONVHHPXQTJQLGX-UHFFFAOYSA-N
XLogP5.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828224
4-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1421990
4-phenylmethoxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2066084
4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1395997
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092377
4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3795149
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 52533407
5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86944084
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride (CID 119828240) is 4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride is Cl.Cl.NCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride?
The InChIKey is ONVHHPXQTJQLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O.2ClH/c21-20(22,23)16-8-9-18(26-10-2-1-3-11-26)17(12-16)25-19(27)15-6-4-14(13-24)5-7-15;;/h4-9,12H,1-3,10-11,13,24H2,(H,25,27);2*1H.
What are the key properties of 4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride?
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride has a molecular weight of 450.33 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 119828240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).