2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride

C20H30Cl2F3N3O2 — CID 120798427

IUPAC2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1CCOCC1
InChIInChI=1S/C20H28F3N3O2.2ClH/c21-20(22,23)16-3-1-2-14(12-16)13-26-8-4-17(5-9-26)25-19(27)18(24)15-6-10-28-11-7-15;;/h1-3,12,15,17-18H,4-11,13,24H2,(H,25,27);2*1H
InChIKeyXMSFVPVWQQPQLN-UHFFFAOYSA-N
MW472.38 g/mol
LogP3.38
Rot. Bonds5

About 2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride (PubChem CID 120798427) has the molecular formula C20H30Cl2F3N3O2 and a molecular weight of 472.38 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride
PubChem CID120798427
Molecular FormulaC20H30Cl2F3N3O2
Molecular Weight472.38 g/mol
Exact Mass471.17
IUPAC Name2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1CCOCC1
InChIInChI=1S/C20H28F3N3O2.2ClH/c21-20(22,23)16-3-1-2-14(12-16)13-26-8-4-17(5-9-26)25-19(27)18(24)15-6-10-28-11-7-15;;/h1-3,12,15,17-18H,4-11,13,24H2,(H,25,27);2*1H
InChIKeyXMSFVPVWQQPQLN-UHFFFAOYSA-N
XLogP3.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride with MolForge

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Related Compounds

2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797287
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801639
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
4-[[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 167874854
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120798994
6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide
CID 56511189
3-[[4-[1-amino-2-oxo-3-[3-(trifluoromethyl)anilino]propyl]piperidin-1-yl]methyl]benzoic acid
CID 57035097

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride (CID 120798427) is 2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride is Cl.Cl.NC(C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride?
The InChIKey is XMSFVPVWQQPQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O2.2ClH/c21-20(22,23)16-3-1-2-14(12-16)13-26-8-4-17(5-9-26)25-19(27)18(24)15-6-10-28-11-7-15;;/h1-3,12,15,17-18H,4-11,13,24H2,(H,25,27);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride has a molecular weight of 472.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120798427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).