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

C16H26Cl2FN3O — CID 119883913

IUPAC2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)C(C)(C)N)C1.Cl.Cl
InChIInChI=1S/C16H24FN3O.2ClH/c1-11-9-12(17)6-7-14(11)20-8-4-5-13(10-20)19-15(21)16(2,3)18;;/h6-7,9,13H,4-5,8,10,18H2,1-3H3,(H,19,21);2*1H
InChIKeyXMWYZZNJTKSWJV-UHFFFAOYSA-N
MW366.31 g/mol
LogP2.80
Rot. Bonds3

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

2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride (PubChem CID 119883913) has the molecular formula C16H26Cl2FN3O and a molecular weight of 366.31 g/mol. Its IUPAC name is 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
PubChem CID119883913
Molecular FormulaC16H26Cl2FN3O
Molecular Weight366.31 g/mol
Exact Mass365.14
IUPAC Name2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)C(C)(C)N)C1.Cl.Cl
InChIInChI=1S/C16H24FN3O.2ClH/c1-11-9-12(17)6-7-14(11)20-8-4-5-13(10-20)19-15(21)16(2,3)18;;/h6-7,9,13H,4-5,8,10,18H2,1-3H3,(H,19,21);2*1H
InChIKeyXMWYZZNJTKSWJV-UHFFFAOYSA-N
XLogP2.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-phenylpropanamide
CID 120596808
(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]acetamide
CID 119883950
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670287
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 124565601
(2S,4S)-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636999
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
4-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 126784193
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 136520325
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
CID 71921543
1-[(3S)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-[(2S)-4-hydroxy-2-methylbutyl]urea
CID 95936376
2-amino-N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110480014

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride (CID 119883913) is 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride is Cc1cc(F)ccc1N1CCCC(NC(=O)C(C)(C)N)C1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride?
The InChIKey is XMWYZZNJTKSWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O.2ClH/c1-11-9-12(17)6-7-14(11)20-8-4-5-13(10-20)19-15(21)16(2,3)18;;/h6-7,9,13H,4-5,8,10,18H2,1-3H3,(H,19,21);2*1H.
What are the key properties of 2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride?
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride has a molecular weight of 366.31 g/mol, XLogP of 2.80, 3 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-methylpropanamide;dihydrochloride is sourced from PubChem (CID 119883913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).