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

C21H27Cl2F2N3O — CID 120669814

IUPAC2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H25F2N3O.2ClH/c1-14-2-5-16(6-3-14)20(24)21(27)25-17-8-10-26(11-9-17)13-15-4-7-18(22)19(23)12-15;;/h2-7,12,17,20H,8-11,13,24H2,1H3,(H,25,27);2*1H
InChIKeyMEEZWVWJNGPVRN-UHFFFAOYSA-N
MW446.37 g/mol
LogP3.90
Rot. Bonds5

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

2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride (PubChem CID 120669814) has the molecular formula C21H27Cl2F2N3O and a molecular weight of 446.37 g/mol. Its IUPAC name is 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
PubChem CID120669814
Molecular FormulaC21H27Cl2F2N3O
Molecular Weight446.37 g/mol
Exact Mass445.15
IUPAC Name2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H25F2N3O.2ClH/c1-14-2-5-16(6-3-14)20(24)21(27)25-17-8-10-26(11-9-17)13-15-4-7-18(22)19(23)12-15;;/h2-7,12,17,20H,8-11,13,24H2,1H3,(H,25,27);2*1H
InChIKeyMEEZWVWJNGPVRN-UHFFFAOYSA-N
XLogP3.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride with MolForge

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Related Compounds

2-amino-2-(4-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide;dihydrochloride
CID 120669407
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804
ethyl N-[(2R)-1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 51962732
2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120670008
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669508
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(1-hydroxypropan-2-yl)urea
CID 110901505
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methylsulfanylphenyl)urea
CID 87009051
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 106151639
2-amino-2-(4-methylphenyl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
CID 120669746
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
CID 119857402
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methyl-1-phenylpropyl)urea
CID 60543923

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride (CID 120669814) is 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The InChIKey is MEEZWVWJNGPVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O.2ClH/c1-14-2-5-16(6-3-14)20(24)21(27)25-17-8-10-26(11-9-17)13-15-4-7-18(22)19(23)12-15;;/h2-7,12,17,20H,8-11,13,24H2,1H3,(H,25,27);2*1H.
What are the key properties of 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride?
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride has a molecular weight of 446.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120669814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).