3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate

C91H107F3N14O5 — CID 165072608

IUPAC3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate
SMILESCN(C)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1.COC(=O)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1.COC(=O)CCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1.NC(=O)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1
InChIInChI=1S/C23H29FN4.C23H26FN3O2.C23H27N3O2.C22H25FN4O/c1-27(2)13-10-25-20-8-11-28(12-9-20)21-5-3-4-17(15-21)23-16-18-14-19(24)6-7-22(18)26-23;1-29-23(28)7-10-25-19-8-11-27(12-9-19)20-4-2-3-16(14-20)22-15-17-13-18(24)5-6-21(17)26-22;1-28-23(27)9-12-24-19-10-13-26(14-11-19)20-7-4-6-17(15-20)22-16-18-5-2-3-8-21(18)25-22;23-17-4-5-20-16(12-17)14-21(26-20)15-2-1-3-19(13-15)27-10-7-18(8-11-27)25-9-6-22(24)28/h3-7,14-16,20,25-26H,8-13H2,1-2H3;2-6,13-15,19,25-26H,7-12H2,1H3;2-8,15-16,19,24-25H,9-14H2,1H3;1-5,12-14,18,25-26H,6-11H2,(H2,24,28)
InChIKeyTTXOVTAUELUYGU-UHFFFAOYSA-N
MW1533.94 g/mol
LogP15.55
Rot. Bonds24

About 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate

3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate (PubChem CID 165072608) has the molecular formula C91H107F3N14O5 and a molecular weight of 1533.94 g/mol. Its IUPAC name is 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate.

Molecular Properties

Compound Name3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate
PubChem CID165072608
Molecular FormulaC91H107F3N14O5
Molecular Weight1533.94 g/mol
Exact Mass1532.85
IUPAC Name3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate
SMILESCN(C)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1.COC(=O)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1.COC(=O)CCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1.NC(=O)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1
InChIInChI=1S/C23H29FN4.C23H26FN3O2.C23H27N3O2.C22H25FN4O/c1-27(2)13-10-25-20-8-11-28(12-9-20)21-5-3-4-17(15-21)23-16-18-14-19(24)6-7-22(18)26-23;1-29-23(28)7-10-25-19-8-11-27(12-9-19)20-4-2-3-16(14-20)22-15-17-13-18(24)5-6-21(17)26-22;1-28-23(27)9-12-24-19-10-13-26(14-11-19)20-7-4-6-17(15-20)22-16-18-5-2-3-8-21(18)25-22;23-17-4-5-20-16(12-17)14-21(26-20)15-2-1-3-19(13-15)27-10-7-18(8-11-27)25-9-6-22(24)28/h3-7,14-16,20,25-26H,8-13H2,1-2H3;2-6,13-15,19,25-26H,7-12H2,1H3;2-8,15-16,19,24-25H,9-14H2,1H3;1-5,12-14,18,25-26H,6-11H2,(H2,24,28)
InChIKeyTTXOVTAUELUYGU-UHFFFAOYSA-N
XLogP15.55
TPSA223.17 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms113
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001533.94
LogP ≤ 515.55
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate?
The IUPAC name of 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate (CID 165072608) is 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate.
What is the SMILES notation for 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate?
The canonical SMILES for 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate is CN(C)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1.COC(=O)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1.COC(=O)CCNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1.NC(=O)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1.
What is the InChIKey of 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate?
The InChIKey is TTXOVTAUELUYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4.C23H26FN3O2.C23H27N3O2.C22H25FN4O/c1-27(2)13-10-25-20-8-11-28(12-9-20)21-5-3-4-17(15-21)23-16-18-14-19(24)6-7-22(18)26-23;1-29-23(28)7-10-25-19-8-11-27(12-9-19)20-4-2-3-16(14-20)22-15-17-13-18(24)5-6-21(17)26-22;1-28-23(27)9-12-24-19-10-13-26(14-11-19)20-7-4-6-17(15-20)22-16-18-5-2-3-8-21(18)25-22;23-17-4-5-20-16(12-17)14-21(26-20)15-2-1-3-19(13-15)27-10-7-18(8-11-27)25-9-6-22(24)28/h3-7,14-16,20,25-26H,8-13H2,1-2H3;2-6,13-15,19,25-26H,7-12H2,1H3;2-8,15-16,19,24-25H,9-14H2,1H3;1-5,12-14,18,25-26H,6-11H2,(H2,24,28).
What are the key properties of 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate?
3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate has a molecular weight of 1533.94 g/mol, XLogP of 15.55, 24 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate is sourced from PubChem (CID 165072608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).