N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate

C111H134Cl6N16O20 — CID 163500558

About N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate

N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate (PubChem CID 163500558) has the molecular formula C111H134Cl6N16O20 and a molecular weight of 2225.10 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate.

Molecular Properties

• Compound Name: N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
• PubChem CID: 163500558
• Molecular Formula: C111H134Cl6N16O20
• Molecular Weight: 2225.10 g/mol
• Exact Mass: 2220.81
• IUPAC Name: N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
• SMILES: COC(=O)[C@@H](N)C[C@@H]1CCCNC1=O.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1.O=C(Cl)c1cc2c(Cl)cccc2[nH]1.O=C(O)C1CC2(CCCCC2)CN1.O=C(O)C1CC2(CCCCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1.O=C(O)c1cc2c(Cl)cccc2[nH]1
• InChI: InChI=1S/C28H35ClN4O5.C27H34ClN5O4.C19H21ClN2O3.C10H17NO2.C9H5Cl2NO.C9H6ClNO2.C9H16N2O3/c1-38-27(37)22(13-17-7-6-12-30-24(17)34)32-25(35)23-15-28(10-3-2-4-11-28)16-33(23)26(36)21-14-18-19(29)8-5-9-20(18)31-21;28-18-7-4-8-19-17(18)13-21(31-19)26(37)33-15-27(9-2-1-3-10-27)14-22(33)25(36)32-20(23(29)34)12-16-6-5-11-30-24(16)35;20-13-5-4-6-14-12(13)9-15(21-14)17(23)22-11-19(7-2-1-3-8-19)10-16(22)18(24)25;12-9(13)8-6-10(7-11-8)4-2-1-3-5-10;10-6-2-1-3-7-5(6)4-8(12-7)9(11)13;10-6-2-1-3-7-5(6)4-8(11-7)9(12)13;1-14-9(13)7(10)5-6-3-2-4-11-8(6)12/h5,8-9,14,17,22-23,31H,2-4,6-7,10-13,15-16H2,1H3,(H,30,34)(H,32,35);4,7-8,13,16,20,22,31H,1-3,5-6,9-12,14-15H2,(H2,29,34)(H,30,35)(H,32,36);4-6,9,16,21H,1-3,7-8,10-11H2,(H,24,25);8,11H,1-7H2,(H,12,13);1-4,12H;1-4,11H,(H,12,13);6-7H,2-5,10H2,1H3,(H,11,12)/t17-,22-,23?;16-,20-,22?;;;;;6-,7-/m00....0/s1
• InChIKey: CUISVJZDECZCFM-GSYPOAHBSA-N
• XLogP: 17.01
• TPSA: 548.09 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2225.10
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate?

The IUPAC name of N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate (CID 163500558) is N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate.

What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate?

The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate is COC(=O)[C@@H](N)C[C@@H]1CCCNC1=O.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)C1CC2(CCCCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1.O=C(Cl)c1cc2c(Cl)cccc2[nH]1.O=C(O)C1CC2(CCCCC2)CN1.O=C(O)C1CC2(CCCCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1.O=C(O)c1cc2c(Cl)cccc2[nH]1.

What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate?

The InChIKey is CUISVJZDECZCFM-GSYPOAHBSA-N. The full InChI is InChI=1S/C28H35ClN4O5.C27H34ClN5O4.C19H21ClN2O3.C10H17NO2.C9H5Cl2NO.C9H6ClNO2.C9H16N2O3/c1-38-27(37)22(13-17-7-6-12-30-24(17)34)32-25(35)23-15-28(10-3-2-4-11-28)16-33(23)26(36)21-14-18-19(29)8-5-9-20(18)31-21;28-18-7-4-8-19-17(18)13-21(31-19)26(37)33-15-27(9-2-1-3-10-27)14-22(33)25(36)32-20(23(29)34)12-16-6-5-11-30-24(16)35;20-13-5-4-6-14-12(13)9-15(21-14)17(23)22-11-19(7-2-1-3-8-19)10-16(22)18(24)25;12-9(13)8-6-10(7-11-8)4-2-1-3-5-10;10-6-2-1-3-7-5(6)4-8(12-7)9(11)13;10-6-2-1-3-7-5(6)4-8(11-7)9(12)13;1-14-9(13)7(10)5-6-3-2-4-11-8(6)12/h5,8-9,14,17,22-23,31H,2-4,6-7,10-13,15-16H2,1H3,(H,30,34)(H,32,35);4,7-8,13,16,20,22,31H,1-3,5-6,9-12,14-15H2,(H2,29,34)(H,30,35)(H,32,36);4-6,9,16,21H,1-3,7-8,10-11H2,(H,24,25);8,11H,1-7H2,(H,12,13);1-4,12H;1-4,11H,(H,12,13);6-7H,2-5,10H2,1H3,(H,11,12)/t17-,22-,23?;16-,20-,22?;;;;;6-,7-/m00....0/s1.

What are the key properties of N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate?

N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate has a molecular weight of 2225.10 g/mol, XLogP of 17.01, 20 rotatable bonds, 16 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide;2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopiperidin-3-yl]propanoate;methyl (2S)-2-[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carbonyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate is sourced from PubChem (CID 163500558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).