acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide

C65H96F3I12N10O5- — CID 158764085

IUPACacetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide
SMILESCC(C)COc1ccc(CN)cc1.CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.CC(N)=O.CN1CCC(N(Cc2ccc(F)cc2)C(N)=O)CC1.CN1CCC(NCc2ccc(F)cc2)CC1.I.I[I-]I(I)I(I)I(I)I(I)I
InChIInChI=1S/C25H34FN3O2.C14H20FN3O.C13H19FN2.C11H17NO.C2H5NO.I11.HI/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21;1-17-8-6-13(7-9-17)18(14(16)19)10-11-2-4-12(15)5-3-11;1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11;1-9(2)8-13-11-5-3-10(7-12)4-6-11;1-2(3)4;1-7-9(4)11(6)10(5)8(2)3;/h4-11,19,23H,12-18H2,1-3H3,(H,27,30);2-5,13H,6-10H2,1H3,(H2,16,19);2-5,13,15H,6-10H2,1H3;3-6,9H,7-8,12H2,1-2H3;1H3,(H2,3,4);;1H/q;;;;;-1;
InChIKeyBINKNOVEECCDAE-UHFFFAOYSA-N
MW2677.39 g/mol
LogP16.63
Rot. Bonds22

About acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide

acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide (PubChem CID 158764085) has the molecular formula C65H96F3I12N10O5- and a molecular weight of 2677.39 g/mol. Its IUPAC name is acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide.

Molecular Properties

Compound Nameacetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide
PubChem CID158764085
Molecular FormulaC65H96F3I12N10O5-
Molecular Weight2677.39 g/mol
Exact Mass2676.61
IUPAC Nameacetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide
SMILESCC(C)COc1ccc(CN)cc1.CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.CC(N)=O.CN1CCC(N(Cc2ccc(F)cc2)C(N)=O)CC1.CN1CCC(NCc2ccc(F)cc2)CC1.I.I[I-]I(I)I(I)I(I)I(I)I
InChIInChI=1S/C25H34FN3O2.C14H20FN3O.C13H19FN2.C11H17NO.C2H5NO.I11.HI/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21;1-17-8-6-13(7-9-17)18(14(16)19)10-11-2-4-12(15)5-3-11;1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11;1-9(2)8-13-11-5-3-10(7-12)4-6-11;1-2(3)4;1-7-9(4)11(6)10(5)8(2)3;/h4-11,19,23H,12-18H2,1-3H3,(H,27,30);2-5,13H,6-10H2,1H3,(H2,16,19);2-5,13,15H,6-10H2,1H3;3-6,9H,7-8,12H2,1-2H3;1H3,(H2,3,4);;1H/q;;;;;-1;
InChIKeyBINKNOVEECCDAE-UHFFFAOYSA-N
XLogP16.63
TPSA187.99 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002677.39
LogP ≤ 516.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide with MolForge

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Related Compounds

tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate;diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;methane;[4-(2-methylpropoxy)phenyl]methanamine
CID 158500782
acetyl chloride;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;methane;[4-(2-methylpropoxy)phenyl]methanamine;phenyl N-[[4-(2-methylpropoxy)phenyl]methyl]carbamate
CID 157461053
but-2-enedioic acid;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 66861998
(E)-but-2-enedioic acid;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 66861997
1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;2-hydroxyethanesulfonic acid
CID 11713756
methyl 3-[4-[[[(4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]phenoxy]-2-methylpropanoate
CID 46909551
1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;2-hydroxy-2-phenylacetic acid
CID 11699840
1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylbut-3-enoxy)phenyl]methyl]-1-(1-methylpiperidin-4-yl)urea
CID 143567878
1-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;hydrochloride
CID 10482665
1-[dideuterio-(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]-1-[1-(trideuteriomethyl)piperidin-4-yl]urea
CID 25159373
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 142534769
1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;(Z)-octadec-9-enoic acid
CID 11556695

Frequently Asked Questions

What is the IUPAC name of acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide?
The IUPAC name of acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide (CID 158764085) is acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide.
What is the SMILES notation for acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide?
The canonical SMILES for acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide is CC(C)COc1ccc(CN)cc1.CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.CC(N)=O.CN1CCC(N(Cc2ccc(F)cc2)C(N)=O)CC1.CN1CCC(NCc2ccc(F)cc2)CC1.I.I[I-]I(I)I(I)I(I)I(I)I.
What is the InChIKey of acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide?
The InChIKey is BINKNOVEECCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN3O2.C14H20FN3O.C13H19FN2.C11H17NO.C2H5NO.I11.HI/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21;1-17-8-6-13(7-9-17)18(14(16)19)10-11-2-4-12(15)5-3-11;1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11;1-9(2)8-13-11-5-3-10(7-12)4-6-11;1-2(3)4;1-7-9(4)11(6)10(5)8(2)3;/h4-11,19,23H,12-18H2,1-3H3,(H,27,30);2-5,13H,6-10H2,1H3,(H2,16,19);2-5,13,15H,6-10H2,1H3;3-6,9H,7-8,12H2,1-2H3;1H3,(H2,3,4);;1H/q;;;;;-1;.
What are the key properties of acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide?
acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide has a molecular weight of 2677.39 g/mol, XLogP of 16.63, 22 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;diiodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea;[4-(2-methylpropoxy)phenyl]methanamine;hydroiodide is sourced from PubChem (CID 158764085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).