2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride

C21H28Cl2FN3O — CID 120670287

IUPAC2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NC2CCCN(c3ccc(F)cc3C)C2)cc1.Cl.Cl
InChIInChI=1S/C21H26FN3O.2ClH/c1-14-5-7-16(8-6-14)20(23)21(26)24-18-4-3-11-25(13-18)19-10-9-17(22)12-15(19)2;;/h5-10,12,18,20H,3-4,11,13,23H2,1-2H3,(H,24,26);2*1H
InChIKeyWATRUMKGHRRGPE-UHFFFAOYSA-N
MW428.38 g/mol
LogP4.07
Rot. Bonds4

About 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride

2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride (PubChem CID 120670287) has the molecular formula C21H28Cl2FN3O and a molecular weight of 428.38 g/mol. Its IUPAC name is 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
PubChem CID120670287
Molecular FormulaC21H28Cl2FN3O
Molecular Weight428.38 g/mol
Exact Mass427.16
IUPAC Name2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NC2CCCN(c3ccc(F)cc3C)C2)cc1.Cl.Cl
InChIInChI=1S/C21H26FN3O.2ClH/c1-14-5-7-16(8-6-14)20(23)21(26)24-18-4-3-11-25(13-18)19-10-9-17(22)12-15(19)2;;/h5-10,12,18,20H,3-4,11,13,23H2,1-2H3,(H,24,26);2*1H
InChIKeyWATRUMKGHRRGPE-UHFFFAOYSA-N
XLogP4.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
CID 119883938
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
CID 119883913
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]acetamide
CID 119883950
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
CID 86965768
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 124565601
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide
CID 120596808
(2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636999
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
CID 71921543
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
1-[(3S)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-[(2S)-4-hydroxy-2-methylbutyl]urea
CID 95936376
2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
CID 120670573
2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
CID 120670298

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride (CID 120670287) is 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NC2CCCN(c3ccc(F)cc3C)C2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The InChIKey is WATRUMKGHRRGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O.2ClH/c1-14-5-7-16(8-6-14)20(23)21(26)24-18-4-3-11-25(13-18)19-10-9-17(22)12-15(19)2;;/h5-10,12,18,20H,3-4,11,13,23H2,1-2H3,(H,24,26);2*1H.
What are the key properties of 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride?
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride has a molecular weight of 428.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120670287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).