1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone

C66H74N8O4 — CID 159455721

IUPAC1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCNc1cccc(C2CCN(C(=O)c3cn(C)c4ccc(OC)cc34)CC2)c1.CNc1cccc(C2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1.Cc1cccc(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c1
InChIInChI=1S/C23H27N3O2.C22H25N3O.C21H22N2O/c1-24-18-6-4-5-17(13-18)16-9-11-26(12-10-16)23(27)21-15-25(2)22-8-7-19(28-3)14-20(21)22;1-23-18-7-5-6-17(14-18)16-10-12-25(13-11-16)22(26)20-15-24(2)21-9-4-3-8-19(20)21;1-15-3-2-4-18(13-15)16-8-11-23(12-9-16)21(24)19-6-5-17-7-10-22-20(17)14-19/h4-8,13-16,24H,9-12H2,1-3H3;3-9,14-16,23H,10-13H2,1-2H3;2-7,10,13-14,16,22H,8-9,11-12H2,1H3
InChIKeyLTYGICAGNYSSCM-UHFFFAOYSA-N
MW1043.37 g/mol
LogP12.98
Rot. Bonds9

About 1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone

1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone (PubChem CID 159455721) has the molecular formula C66H74N8O4 and a molecular weight of 1043.37 g/mol. Its IUPAC name is 1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
PubChem CID159455721
Molecular FormulaC66H74N8O4
Molecular Weight1043.37 g/mol
Exact Mass1042.58
IUPAC Name1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCNc1cccc(C2CCN(C(=O)c3cn(C)c4ccc(OC)cc34)CC2)c1.CNc1cccc(C2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1.Cc1cccc(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c1
InChIInChI=1S/C23H27N3O2.C22H25N3O.C21H22N2O/c1-24-18-6-4-5-17(13-18)16-9-11-26(12-10-16)23(27)21-15-25(2)22-8-7-19(28-3)14-20(21)22;1-23-18-7-5-6-17(14-18)16-10-12-25(13-11-16)22(26)20-15-24(2)21-9-4-3-8-19(20)21;1-15-3-2-4-18(13-15)16-8-11-23(12-9-16)21(24)19-6-5-17-7-10-22-20(17)14-19/h4-8,13-16,24H,9-12H2,1-3H3;3-9,14-16,23H,10-13H2,1-2H3;2-7,10,13-14,16,22H,8-9,11-12H2,1H3
InChIKeyLTYGICAGNYSSCM-UHFFFAOYSA-N
XLogP12.98
TPSA119.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.37
LogP ≤ 512.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of 1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone (CID 159455721) is 1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for 1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for 1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone is CNc1cccc(C2CCN(C(=O)c3cn(C)c4ccc(OC)cc34)CC2)c1.CNc1cccc(C2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1.Cc1cccc(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)c1.
What is the InChIKey of 1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is LTYGICAGNYSSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.C22H25N3O.C21H22N2O/c1-24-18-6-4-5-17(13-18)16-9-11-26(12-10-16)23(27)21-15-25(2)22-8-7-19(28-3)14-20(21)22;1-23-18-7-5-6-17(14-18)16-10-12-25(13-11-16)22(26)20-15-24(2)21-9-4-3-8-19(20)21;1-15-3-2-4-18(13-15)16-8-11-23(12-9-16)21(24)19-6-5-17-7-10-22-20(17)14-19/h4-8,13-16,24H,9-12H2,1-3H3;3-9,14-16,23H,10-13H2,1-2H3;2-7,10,13-14,16,22H,8-9,11-12H2,1H3.
What are the key properties of 1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone?
1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 1043.37 g/mol, XLogP of 12.98, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-[4-(3-methylphenyl)piperidin-1-yl]methanone;(5-methoxy-1-methylindol-3-yl)-[4-[3-(methylamino)phenyl]piperidin-1-yl]methanone;[4-[3-(methylamino)phenyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 159455721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).