N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride

C119H158Cl5FN18O18S — CID 163597982

About N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride

N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride (PubChem CID 163597982) has the molecular formula C119H158Cl5FN18O18S and a molecular weight of 2357.01 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride.

Molecular Properties

• Compound Name: N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride
• PubChem CID: 163597982
• Molecular Formula: C119H158Cl5FN18O18S
• Molecular Weight: 2357.01 g/mol
• Exact Mass: 2353.01
• IUPAC Name: N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride
• SMILES: CC1(C)CCC(C[C@@H](C#N)NC(=O)C2CC3(CCCCC3)CN2C(=O)c2cc3cccc(Cl)c3[nH]2)C(=O)N1.CC1(C)CCC(C[C@H](NC(=O)C2CC3(CCCCC3)CN2C(=O)c2cc3cccc(Cl)c3[nH]2)C(N)=O)C(=O)N1.COC(=O)[C@@H](N)CC1CCC(C)(C)NC1=O.COC(=O)[C@H](CC1CCC(C)(C)NC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.CSF.Cl.O=C(O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1
• InChI: InChI=1S/C30H39ClN4O5.C29H38ClN5O4.C29H36ClN5O3.C19H21ClN2O3.C11H20N2O3.CH3FS.ClH/c1-29(2)13-10-19(25(36)34-29)15-22(28(39)40-3)33-26(37)23-16-30(11-5-4-6-12-30)17-35(23)27(38)21-14-18-8-7-9-20(31)24(18)32-21;1-28(2)12-9-18(25(37)34-28)14-20(24(31)36)33-26(38)22-15-29(10-4-3-5-11-29)16-35(22)27(39)21-13-17-7-6-8-19(30)23(17)32-21;1-28(2)12-9-19(25(36)34-28)13-20(16-31)32-26(37)23-15-29(10-4-3-5-11-29)17-35(23)27(38)22-14-18-7-6-8-21(30)24(18)33-22;20-13-6-4-5-12-9-14(21-16(12)13)17(23)22-11-19(7-2-1-3-8-19)10-15(22)18(24)25;1-11(2)5-4-7(9(14)13-11)6-8(12)10(15)16-3;1-3-2;/h7-9,14,19,22-23,32H,4-6,10-13,15-17H2,1-3H3,(H,33,37)(H,34,36);6-8,13,18,20,22,32H,3-5,9-12,14-16H2,1-2H3,(H2,31,36)(H,33,38)(H,34,37);6-8,14,19-20,23,33H,3-5,9-13,15,17H2,1-2H3,(H,32,37)(H,34,36);4-6,9,15,21H,1-3,7-8,10-11H2,(H,24,25);7-8H,4-6,12H2,1-3H3,(H,13,14);1H3;1H/t19?,22-,23?;18?,20-,22?;19?,20-,23?;;7?,8-;;/m000.0../s1
• InChIKey: MJHUFOZWUTWNNS-VEJBGSNDSA-N
• XLogP: 18.59
• TPSA: 530.90 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2357.01
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride?

The IUPAC name of N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride (CID 163597982) is N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride.

What is the SMILES notation for N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride?

The canonical SMILES for N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride is CC1(C)CCC(C[C@@H](C#N)NC(=O)C2CC3(CCCCC3)CN2C(=O)c2cc3cccc(Cl)c3[nH]2)C(=O)N1.CC1(C)CCC(C[C@H](NC(=O)C2CC3(CCCCC3)CN2C(=O)c2cc3cccc(Cl)c3[nH]2)C(N)=O)C(=O)N1.COC(=O)[C@@H](N)CC1CCC(C)(C)NC1=O.COC(=O)[C@H](CC1CCC(C)(C)NC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.CSF.Cl.O=C(O)C1CC2(CCCCC2)CN1C(=O)c1cc2cccc(Cl)c2[nH]1.

What is the InChIKey of N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride?

The InChIKey is MJHUFOZWUTWNNS-VEJBGSNDSA-N. The full InChI is InChI=1S/C30H39ClN4O5.C29H38ClN5O4.C29H36ClN5O3.C19H21ClN2O3.C11H20N2O3.CH3FS.ClH/c1-29(2)13-10-19(25(36)34-29)15-22(28(39)40-3)33-26(37)23-16-30(11-5-4-6-12-30)17-35(23)27(38)21-14-18-8-7-9-20(31)24(18)32-21;1-28(2)12-9-18(25(37)34-28)14-20(24(31)36)33-26(38)22-15-29(10-4-3-5-11-29)16-35(22)27(39)21-13-17-7-6-8-19(30)23(17)32-21;1-28(2)12-9-19(25(36)34-28)13-20(16-31)32-26(37)23-15-29(10-4-3-5-11-29)17-35(23)27(38)22-14-18-7-6-8-21(30)24(18)33-22;20-13-6-4-5-12-9-14(21-16(12)13)17(23)22-11-19(7-2-1-3-8-19)10-15(22)18(24)25;1-11(2)5-4-7(9(14)13-11)6-8(12)10(15)16-3;1-3-2;/h7-9,14,19,22-23,32H,4-6,10-13,15-17H2,1-3H3,(H,33,37)(H,34,36);6-8,13,18,20,22,32H,3-5,9-12,14-16H2,1-2H3,(H2,31,36)(H,33,38)(H,34,37);6-8,14,19-20,23,33H,3-5,9-13,15,17H2,1-2H3,(H,32,37)(H,34,36);4-6,9,15,21H,1-3,7-8,10-11H2,(H,24,25);7-8H,4-6,12H2,1-3H3,(H,13,14);1H3;1H/t19?,22-,23?;18?,20-,22?;19?,20-,23?;;7?,8-;;/m000.0../s1.

What are the key properties of N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride?

N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride has a molecular weight of 2357.01 g/mol, XLogP of 18.59, 22 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)-1-oxopropan-2-yl]-2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]-2-azaspiro[4.5]decane-3-carboxamide;methyl (2S)-2-amino-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl (2S)-2-[[2-(7-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-(6,6-dimethyl-2-oxopiperidin-3-yl)propanoate;methyl thiohypofluorite;hydrochloride is sourced from PubChem (CID 163597982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).