N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine

C96H119F2N17O2 — CID 165104862

About N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine

N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 165104862) has the molecular formula C96H119F2N17O2 and a molecular weight of 1581.12 g/mol. Its IUPAC name is N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 165104862
• Molecular Formula: C96H119F2N17O2
• Molecular Weight: 1581.12 g/mol
• Exact Mass: 1579.97
• IUPAC Name: N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
• SMILES: CCN(CC)C(=O)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1.CN(C)CCNC1CCN(c2cccc(-c3cc4cc(C#N)ccc4[nH]3)c2)CC1.CN(C)CCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1.CNC(=O)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1
• InChI: InChI=1S/C26H33FN4O.C24H29N5.C23H27FN4O.C23H30N4/c1-3-30(4-2)26(32)10-13-28-22-11-14-31(15-12-22)23-7-5-6-19(17-23)25-18-20-16-21(27)8-9-24(20)29-25;1-28(2)13-10-26-21-8-11-29(12-9-21)22-5-3-4-19(15-22)24-16-20-14-18(17-25)6-7-23(20)27-24;1-25-23(29)7-10-26-19-8-11-28(12-9-19)20-4-2-3-16(14-20)22-15-17-13-18(24)5-6-21(17)27-22;1-26(2)15-12-24-20-10-13-27(14-11-20)21-8-5-7-18(16-21)23-17-19-6-3-4-9-22(19)25-23/h5-9,16-18,22,28-29H,3-4,10-15H2,1-2H3;3-7,14-16,21,26-27H,8-13H2,1-2H3;2-6,13-15,19,26-27H,7-12H2,1H3,(H,25,29);3-9,16-17,20,24-25H,10-15H2,1-2H3
• InChIKey: YYLKIVHGIPKNQH-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 203.92 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 26
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1581.12
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 165104862) is N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine is CCN(CC)C(=O)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1.CN(C)CCNC1CCN(c2cccc(-c3cc4cc(C#N)ccc4[nH]3)c2)CC1.CN(C)CCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1.CNC(=O)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1.

What is the InChIKey of N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is YYLKIVHGIPKNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O.C24H29N5.C23H27FN4O.C23H30N4/c1-3-30(4-2)26(32)10-13-28-22-11-14-31(15-12-22)23-7-5-6-19(17-23)25-18-20-16-21(27)8-9-24(20)29-25;1-28(2)13-10-26-21-8-11-29(12-9-21)22-5-3-4-19(15-22)24-16-20-14-18(17-25)6-7-23(20)27-24;1-25-23(29)7-10-26-19-8-11-28(12-9-19)20-4-2-3-16(14-20)22-15-17-13-18(24)5-6-21(17)27-22;1-26(2)15-12-24-20-10-13-27(14-11-20)21-8-5-7-18(16-21)23-17-19-6-3-4-9-22(19)25-23/h5-9,16-18,22,28-29H,3-4,10-15H2,1-2H3;3-7,14-16,21,26-27H,8-13H2,1-2H3;2-6,13-15,19,26-27H,7-12H2,1H3,(H,25,29);3-9,16-17,20,24-25H,10-15H2,1-2H3.

What are the key properties of N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?

N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 1581.12 g/mol, XLogP of 16.24, 26 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;2-[3-[4-[2-(dimethylamino)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-N-methylpropanamide;N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 165104862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).