3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one)

C98H130N22O6S — CID 157242970

About 3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one)

3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one) (PubChem CID 157242970) has the molecular formula C98H130N22O6S and a molecular weight of 1744.33 g/mol. Its IUPAC name is 3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one).

Molecular Properties

• Compound Name: 3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one)
• PubChem CID: 157242970
• Molecular Formula: C98H130N22O6S
• Molecular Weight: 1744.33 g/mol
• Exact Mass: 1743.03
• IUPAC Name: 3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one)
• SMILES: CC(C)c1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(=O)[nH]1.CC(C)c1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(=O)[nH]1.CC(C)c1cnc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(=O)[nH]1.COc1cccc2c1CC1(CCN(c3ncc(C(C)C)[nH]c3=O)CC1)[C@@H]2N.Cc1nc2c(s1)CC1(CCN(c3ncc(C(C)C)[nH]c3=O)CC1)[C@@H]2N
• InChI: InChI=1S/C21H28N4O2.2C20H26N4O.C19H25N5O.C18H25N5OS/c1-13(2)16-12-23-19(20(26)24-16)25-9-7-21(8-10-25)11-15-14(18(21)22)5-4-6-17(15)27-3;2*1-13(2)16-12-22-18(19(25)23-16)24-9-7-20(8-10-24)11-14-5-3-4-6-15(14)17(20)21;1-12(2)15-11-22-17(18(25)23-15)24-8-5-19(6-9-24)10-14-13(16(19)20)4-3-7-21-14;1-10(2)12-9-20-16(17(24)22-12)23-6-4-18(5-7-23)8-13-14(15(18)19)21-11(3)25-13/h4-6,12-13,18H,7-11,22H2,1-3H3,(H,24,26);2*3-6,12-13,17H,7-11,21H2,1-2H3,(H,23,25);3-4,7,11-12,16H,5-6,8-10,20H2,1-2H3,(H,23,25);9-10,15H,4-8,19H2,1-3H3,(H,22,24)/t18-;2*17-;16-;15-/m11111/s1
• InChIKey: AVKOWWABUOMZKO-CVXMXPIWSA-N
• XLogP: 12.85
• TPSA: 410.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1744.33
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one)?

The IUPAC name of 3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one) (CID 157242970) is 3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one).

What is the SMILES notation for 3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one)?

The canonical SMILES for 3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one) is CC(C)c1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(=O)[nH]1.CC(C)c1cnc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(=O)[nH]1.CC(C)c1cnc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(=O)[nH]1.COc1cccc2c1CC1(CCN(c3ncc(C(C)C)[nH]c3=O)CC1)[C@@H]2N.Cc1nc2c(s1)CC1(CCN(c3ncc(C(C)C)[nH]c3=O)CC1)[C@@H]2N.

What is the InChIKey of 3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one)?

The InChIKey is AVKOWWABUOMZKO-CVXMXPIWSA-N. The full InChI is InChI=1S/C21H28N4O2.2C20H26N4O.C19H25N5O.C18H25N5OS/c1-13(2)16-12-23-19(20(26)24-16)25-9-7-21(8-10-25)11-15-14(18(21)22)5-4-6-17(15)27-3;2*1-13(2)16-12-22-18(19(25)23-16)24-9-7-20(8-10-24)11-14-5-3-4-6-15(14)17(20)21;1-12(2)15-11-22-17(18(25)23-15)24-8-5-19(6-9-24)10-14-13(16(19)20)4-3-7-21-14;1-10(2)12-9-20-16(17(24)22-12)23-6-4-18(5-7-23)8-13-14(15(18)19)21-11(3)25-13/h4-6,12-13,18H,7-11,22H2,1-3H3,(H,24,26);2*3-6,12-13,17H,7-11,21H2,1-2H3,(H,23,25);3-4,7,11-12,16H,5-6,8-10,20H2,1-2H3,(H,23,25);9-10,15H,4-8,19H2,1-3H3,(H,22,24)/t18-;2*17-;16-;15-/m11111/s1.

What are the key properties of 3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one)?

3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one) has a molecular weight of 1744.33 g/mol, XLogP of 12.85, 11 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1S)-1-amino-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(4S)-4-amino-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one;bis(3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one) is sourced from PubChem (CID 157242970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).