1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

C19H25BrF3N3O3 — CID 166284440

IUPAC1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C1(NC2CCN(C)C(c3ccc(Br)cc3)C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24BrN3O.C2HF3O2/c1-19-16(22)17(8-9-17)20-14-7-10-21(2)15(11-14)12-3-5-13(18)6-4-12;3-2(4,5)1(6)7/h3-6,14-15,20H,7-11H2,1-2H3,(H,19,22);(H,6,7)
InChIKeyUTNOWTQUIODFKU-UHFFFAOYSA-N
MW480.33 g/mol
LogP3.09
Rot. Bonds4

About 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166284440) has the molecular formula C19H25BrF3N3O3 and a molecular weight of 480.33 g/mol. Its IUPAC name is 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166284440
Molecular FormulaC19H25BrF3N3O3
Molecular Weight480.33 g/mol
Exact Mass479.10
IUPAC Name1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)C1(NC2CCN(C)C(c3ccc(Br)cc3)C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24BrN3O.C2HF3O2/c1-19-16(22)17(8-9-17)20-14-7-10-21(2)15(11-14)12-3-5-13(18)6-4-12;3-2(4,5)1(6)7/h3-6,14-15,20H,7-11H2,1-2H3,(H,19,22);(H,6,7)
InChIKeyUTNOWTQUIODFKU-UHFFFAOYSA-N
XLogP3.09
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.33
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide
CID 166284441
3-(4-bromophenyl)azetidine;2,2,2-trifluoroacetic acid
CID 162316669
3-(4-bromophenyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
CID 177227583
[1-(4-bromophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562680
[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562761
1-[(4-bromophenyl)-difluoromethyl]azetidine;2,2,2-trifluoroacetic acid
CID 118903672
tert-butyl (2S)-4-[(1-methylcyclopropyl)amino]-2-phenylpiperidine-1-carboxylate
CID 165142124
N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]acetamide
CID 49348733
tert-butyl 2-(4-bromophenyl)-4,4-difluoropiperidine-1-carboxylate
CID 164536876
1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 84606143
cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
CID 129348369
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 166284440) is 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)C1(NC2CCN(C)C(c3ccc(Br)cc3)C2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UTNOWTQUIODFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O.C2HF3O2/c1-19-16(22)17(8-9-17)20-14-7-10-21(2)15(11-14)12-3-5-13(18)6-4-12;3-2(4,5)1(6)7/h3-6,14-15,20H,7-11H2,1-2H3,(H,19,22);(H,6,7).
What are the key properties of 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 480.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-bromophenyl)-1-methylpiperidin-4-yl]amino]-N-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166284440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).