1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone

C76H102N14O7S2 — CID 157301954

About 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone

1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone (PubChem CID 157301954) has the molecular formula C76H102N14O7S2 and a molecular weight of 1387.88 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone.

Molecular Properties

• Compound Name: 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
• PubChem CID: 157301954
• Molecular Formula: C76H102N14O7S2
• Molecular Weight: 1387.88 g/mol
• Exact Mass: 1386.75
• IUPAC Name: 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
• SMILES: CC(=O)N1CCC(CN)(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN.CC(=O)N1CCC2(CC1)CNc1ccccc12.CS(=O)(=O)N1CCC(CN)(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN
• InChI: InChI=1S/2C16H21N3O.2C15H21N3O2S.C14H18N2O/c1-12(20)19-8-6-16(11-17,7-9-19)14-10-18-15-5-3-2-4-13(14)15;1-11(20)19-7-6-12(8-13(19)9-17)15-10-18-16-5-3-2-4-14(15)16;1-21(19,20)18-8-6-15(11-16,7-9-18)13-10-17-14-5-3-2-4-12(13)14;1-21(19,20)18-7-6-11(8-12(18)9-16)14-10-17-15-5-3-2-4-13(14)15;1-11(17)16-8-6-14(7-9-16)10-15-13-5-3-2-4-12(13)14/h2-5,10,18H,6-9,11,17H2,1H3;2-5,10,12-13,18H,6-9,17H2,1H3;2-5,10,17H,6-9,11,16H2,1H3;2-5,10-12,17H,6-9,16H2,1H3;2-5,15H,6-10H2,1H3
• InChIKey: BBZVSRAABGOIFF-UHFFFAOYSA-N
• XLogP: 9.27
• TPSA: 314.96 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1387.88
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone?

The IUPAC name of 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone (CID 157301954) is 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone.

What is the SMILES notation for 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone?

The canonical SMILES for 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone is CC(=O)N1CCC(CN)(c2c[nH]c3ccccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN.CC(=O)N1CCC2(CC1)CNc1ccccc12.CS(=O)(=O)N1CCC(CN)(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccccc23)CC1CN.

What is the InChIKey of 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone?

The InChIKey is BBZVSRAABGOIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H21N3O.2C15H21N3O2S.C14H18N2O/c1-12(20)19-8-6-16(11-17,7-9-19)14-10-18-15-5-3-2-4-13(14)15;1-11(20)19-7-6-12(8-13(19)9-17)15-10-18-16-5-3-2-4-14(15)16;1-21(19,20)18-8-6-15(11-16,7-9-18)13-10-17-14-5-3-2-4-12(13)14;1-21(19,20)18-7-6-11(8-12(18)9-16)14-10-17-15-5-3-2-4-13(14)15;1-11(17)16-8-6-14(7-9-16)10-15-13-5-3-2-4-12(13)14/h2-5,10,18H,6-9,11,17H2,1H3;2-5,10,12-13,18H,6-9,17H2,1H3;2-5,10,17H,6-9,11,16H2,1H3;2-5,10-12,17H,6-9,16H2,1H3;2-5,15H,6-10H2,1H3.

What are the key properties of 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone?

1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone has a molecular weight of 1387.88 g/mol, XLogP of 9.27, 10 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanamine;1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 157301954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).