1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C71H96FN11O5 — CID 161192049

About 1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen

1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 161192049) has the molecular formula C71H96FN11O5 and a molecular weight of 1202.62 g/mol. Its IUPAC name is 1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• PubChem CID: 161192049
• Molecular Formula: C71H96FN11O5
• Molecular Weight: 1202.62 g/mol
• Exact Mass: 1201.76
• IUPAC Name: 1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• SMILES: CC(=O)N1CC2(CCN(C3CCN(c4nc5ccccc5o4)CC3)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(C3CCN(C)CC3)CC2)c2ccccc21.CN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)C4CC4)CC3)CC2)c2cc(F)ccc21.[H][H]
• InChI: InChI=1S/C26H30N4O2.C24H33FN4O2.C21H31N3O.H2/c1-19(31)30-18-26(21-6-2-4-8-23(21)30)12-16-28(17-13-26)20-10-14-29(15-11-20)25-27-22-7-3-5-9-24(22)32-25;1-26(2)23(31)29-16-24(20-15-18(25)5-6-21(20)29)9-13-27(14-10-24)19-7-11-28(12-8-19)22(30)17-3-4-17;1-16(25)22-20-15-21(19-6-4-3-5-18(19)20)9-13-24(14-10-21)17-7-11-23(2)12-8-17;/h2-9,20H,10-18H2,1H3;5-6,15,17,19H,3-4,7-14,16H2,1-2H3;3-6,17,20H,7-15H2,1-2H3,(H,22,25);1H/t;;20-;/m..0./s1
• InChIKey: UTVRYBCRFHTILR-TWYAEJNZSA-N
• XLogP: 10.20
• TPSA: 135.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1202.62
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The IUPAC name of 1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 161192049) is 1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

What is the SMILES notation for 1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The canonical SMILES for 1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(=O)N1CC2(CCN(C3CCN(c4nc5ccccc5o4)CC3)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(C3CCN(C)CC3)CC2)c2ccccc21.CN(C)C(=O)N1CC2(CCN(C3CCN(C(=O)C4CC4)CC3)CC2)c2cc(F)ccc21.[H][H].

What is the InChIKey of 1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The InChIKey is UTVRYBCRFHTILR-TWYAEJNZSA-N. The full InChI is InChI=1S/C26H30N4O2.C24H33FN4O2.C21H31N3O.H2/c1-19(31)30-18-26(21-6-2-4-8-23(21)30)12-16-28(17-13-26)20-10-14-29(15-11-20)25-27-22-7-3-5-9-24(22)32-25;1-26(2)23(31)29-16-24(20-15-18(25)5-6-21(20)29)9-13-27(14-10-24)19-7-11-28(12-8-19)22(30)17-3-4-17;1-16(25)22-20-15-21(19-6-4-3-5-18(19)20)9-13-24(14-10-21)17-7-11-23(2)12-8-17;/h2-9,20H,10-18H2,1H3;5-6,15,17,19H,3-4,7-14,16H2,1-2H3;3-6,17,20H,7-15H2,1-2H3,(H,22,25);1H/t;;20-;/m..0./s1.

What are the key properties of 1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 1202.62 g/mol, XLogP of 10.20, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone;1'-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-fluoro-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide;N-[(1S)-1'-(1-methylpiperidin-4-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 161192049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).