[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride

C129H150Cl2F3N25O8 — CID 162064808

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride
SMILESCCn1c(-c2nc3cc(C(=O)N4CCCC(N)C4)ccc3n2C)cc2ccc(C)cc21.CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)c(C)cc3n2C)cc2ccccc21.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3C[C@@H](C)CO)n(C)c12.Cl.Cl.Cn1c(-c2cc3ccccc3n2CC(F)(F)F)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.Cn1c(-c2cc3ccccc3n2CC2CCOCC2)nc2cc(C(=O)N3CCCC(N)C3)ccc21
InChIInChI=1S/C28H33N5O2.C27H33N5O3.2C25H29N5O.C24H24F3N5O.2ClH/c1-31-25-9-8-21(28(34)32-12-4-6-22(29)18-32)15-23(25)30-27(31)26-16-20-5-2-3-7-24(20)33(26)17-19-10-13-35-14-11-19;1-17(16-33)14-32-22-9-5-4-7-18(22)12-23(32)26-29-21-11-19(13-24(35-3)25(21)30(26)2)27(34)31-10-6-8-20(28)15-31;1-4-30-22-12-16(2)7-8-17(22)14-23(30)24-27-20-13-18(9-10-21(20)28(24)3)25(31)29-11-5-6-19(26)15-29;1-4-30-21-10-6-5-8-17(21)13-23(30)24-27-20-14-19(16(2)12-22(20)28(24)3)25(31)29-11-7-9-18(26)15-29;1-30-20-9-8-16(23(33)31-10-4-6-17(28)13-31)11-18(20)29-22(30)21-12-15-5-2-3-7-19(15)32(21)14-24(25,26)27;;/h2-3,5,7-9,15-16,19,22H,4,6,10-14,17-18,29H2,1H3;4-5,7,9,11-13,17,20,33H,6,8,10,14-16,28H2,1-3H3;7-10,12-14,19H,4-6,11,15,26H2,1-3H3;5-6,8,10,12-14,18H,4,7,9,11,15,26H2,1-3H3;2-3,5,7-9,11-12,17H,4,6,10,13-14,28H2,1H3;2*1H/t;17-,20-;;18-;17-;;/m.1.11../s1
InChIKeyXFOYOPNIELPNQM-KBIFWFIFSA-N
MW2306.69 g/mol
LogP20.92
Rot. Bonds19

About [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride

[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride (PubChem CID 162064808) has the molecular formula C129H150Cl2F3N25O8 and a molecular weight of 2306.69 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride
PubChem CID162064808
Molecular FormulaC129H150Cl2F3N25O8
Molecular Weight2306.69 g/mol
Exact Mass2304.14
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride
SMILESCCn1c(-c2nc3cc(C(=O)N4CCCC(N)C4)ccc3n2C)cc2ccc(C)cc21.CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)c(C)cc3n2C)cc2ccccc21.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3C[C@@H](C)CO)n(C)c12.Cl.Cl.Cn1c(-c2cc3ccccc3n2CC(F)(F)F)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.Cn1c(-c2cc3ccccc3n2CC2CCOCC2)nc2cc(C(=O)N3CCCC(N)C3)ccc21
InChIInChI=1S/C28H33N5O2.C27H33N5O3.2C25H29N5O.C24H24F3N5O.2ClH/c1-31-25-9-8-21(28(34)32-12-4-6-22(29)18-32)15-23(25)30-27(31)26-16-20-5-2-3-7-24(20)33(26)17-19-10-13-35-14-11-19;1-17(16-33)14-32-22-9-5-4-7-18(22)12-23(32)26-29-21-11-19(13-24(35-3)25(21)30(26)2)27(34)31-10-6-8-20(28)15-31;1-4-30-22-12-16(2)7-8-17(22)14-23(30)24-27-20-13-18(9-10-21(20)28(24)3)25(31)29-11-5-6-19(26)15-29;1-4-30-21-10-6-5-8-17(21)13-23(30)24-27-20-14-19(16(2)12-22(20)28(24)3)25(31)29-11-7-9-18(26)15-29;1-30-20-9-8-16(23(33)31-10-4-6-17(28)13-31)11-18(20)29-22(30)21-12-15-5-2-3-7-19(15)32(21)14-24(25,26)27;;/h2-3,5,7-9,15-16,19,22H,4,6,10-14,17-18,29H2,1H3;4-5,7,9,11-13,17,20,33H,6,8,10,14-16,28H2,1-3H3;7-10,12-14,19H,4-6,11,15,26H2,1-3H3;5-6,8,10,12-14,18H,4,7,9,11,15,26H2,1-3H3;2-3,5,7-9,11-12,17H,4,6,10,13-14,28H2,1H3;2*1H/t;17-,20-;;18-;17-;;/m.1.11../s1
InChIKeyXFOYOPNIELPNQM-KBIFWFIFSA-N
XLogP20.92
TPSA384.09 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms167
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002306.69
LogP ≤ 520.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride (CID 162064808) is [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride is CCn1c(-c2nc3cc(C(=O)N4CCCC(N)C4)ccc3n2C)cc2ccc(C)cc21.CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)c(C)cc3n2C)cc2ccccc21.COc1cc(C(=O)N2CCC[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3C[C@@H](C)CO)n(C)c12.Cl.Cl.Cn1c(-c2cc3ccccc3n2CC(F)(F)F)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.Cn1c(-c2cc3ccccc3n2CC2CCOCC2)nc2cc(C(=O)N3CCCC(N)C3)ccc21.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride?
The InChIKey is XFOYOPNIELPNQM-KBIFWFIFSA-N. The full InChI is InChI=1S/C28H33N5O2.C27H33N5O3.2C25H29N5O.C24H24F3N5O.2ClH/c1-31-25-9-8-21(28(34)32-12-4-6-22(29)18-32)15-23(25)30-27(31)26-16-20-5-2-3-7-24(20)33(26)17-19-10-13-35-14-11-19;1-17(16-33)14-32-22-9-5-4-7-18(22)12-23(32)26-29-21-11-19(13-24(35-3)25(21)30(26)2)27(34)31-10-6-8-20(28)15-31;1-4-30-22-12-16(2)7-8-17(22)14-23(30)24-27-20-13-18(9-10-21(20)28(24)3)25(31)29-11-5-6-19(26)15-29;1-4-30-21-10-6-5-8-17(21)13-23(30)24-27-20-14-19(16(2)12-22(20)28(24)3)25(31)29-11-7-9-18(26)15-29;1-30-20-9-8-16(23(33)31-10-4-6-17(28)13-31)11-18(20)29-22(30)21-12-15-5-2-3-7-19(15)32(21)14-24(25,26)27;;/h2-3,5,7-9,15-16,19,22H,4,6,10-14,17-18,29H2,1H3;4-5,7,9,11-13,17,20,33H,6,8,10,14-16,28H2,1-3H3;7-10,12-14,19H,4-6,11,15,26H2,1-3H3;5-6,8,10,12-14,18H,4,7,9,11,15,26H2,1-3H3;2-3,5,7-9,11-12,17H,4,6,10,13-14,28H2,1H3;2*1H/t;17-,20-;;18-;17-;;/m.1.11../s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride?
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride has a molecular weight of 2306.69 g/mol, XLogP of 20.92, 19 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1,6-dimethylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2R)-3-hydroxy-2-methylpropyl]indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;(3-aminopiperidin-1-yl)-[1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone;dihydrochloride is sourced from PubChem (CID 162064808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).