(3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide

C125H143N17O15S6 — CID 161092596

About (3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide

(3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide (PubChem CID 161092596) has the molecular formula C125H143N17O15S6 and a molecular weight of 2316.02 g/mol. Its IUPAC name is (3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide
• PubChem CID: 161092596
• Molecular Formula: C125H143N17O15S6
• Molecular Weight: 2316.02 g/mol
• Exact Mass: 2313.93
• IUPAC Name: (3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide
• SMILES: CCCCC[C@@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)C1=CC=CC(=O)C1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)c1ccccn1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)c1cccnc1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)c1ccncc1)C(=O)c1nc2ccccc2s1
• InChI: InChI=1S/2C22H29N3O3S.C21H22N2O3S.3C20H21N3O2S/c2*1-3-4-5-11-18(20(27)22-24-17-10-6-7-12-19(17)29-22)23-21(28)16-9-8-13-25(14-16)15(2)26;1-2-3-4-11-17(22-20(26)14-8-7-9-15(24)13-14)19(25)21-23-16-10-5-6-12-18(16)27-21;1-2-3-4-10-15(22-19(25)16-11-7-8-13-21-16)18(24)20-23-14-9-5-6-12-17(14)26-20;1-2-3-4-10-16(22-19(25)14-8-7-12-21-13-14)18(24)20-23-15-9-5-6-11-17(15)26-20;1-2-3-4-8-16(22-19(25)14-10-12-21-13-11-14)18(24)20-23-15-7-5-6-9-17(15)26-20/h2*6-7,10,12,16,18H,3-5,8-9,11,13-14H2,1-2H3,(H,23,28);5-10,12,17H,2-4,11,13H2,1H3,(H,22,26);5-9,11-13,15H,2-4,10H2,1H3,(H,22,25);5-9,11-13,16H,2-4,10H2,1H3,(H,22,25);5-7,9-13,16H,2-4,8H2,1H3,(H,22,25)/t2*16-,18+;17-;15-;2*16-/m100000/s1
• InChIKey: UHJLLQMEMKBXSL-ZTMYPJHNSA-N
• XLogP: 24.36
• TPSA: 450.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 48
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2316.02
LogP ≤ 5	24.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide?

The IUPAC name of (3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide (CID 161092596) is (3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for (3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide?

The canonical SMILES for (3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide is CCCCC[C@@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)C1=CC=CC(=O)C1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)c1ccccn1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)c1cccnc1)C(=O)c1nc2ccccc2s1.CCCCC[C@H](NC(=O)c1ccncc1)C(=O)c1nc2ccccc2s1.

What is the InChIKey of (3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide?

The InChIKey is UHJLLQMEMKBXSL-ZTMYPJHNSA-N. The full InChI is InChI=1S/2C22H29N3O3S.C21H22N2O3S.3C20H21N3O2S/c2*1-3-4-5-11-18(20(27)22-24-17-10-6-7-12-19(17)29-22)23-21(28)16-9-8-13-25(14-16)15(2)26;1-2-3-4-11-17(22-20(26)14-8-7-9-15(24)13-14)19(25)21-23-16-10-5-6-12-18(16)27-21;1-2-3-4-10-15(22-19(25)16-11-7-8-13-21-16)18(24)20-23-14-9-5-6-12-17(14)26-20;1-2-3-4-10-16(22-19(25)14-8-7-12-21-13-14)18(24)20-23-15-9-5-6-11-17(15)26-20;1-2-3-4-8-16(22-19(25)14-10-12-21-13-11-14)18(24)20-23-15-7-5-6-9-17(15)26-20/h2*6-7,10,12,16,18H,3-5,8-9,11,13-14H2,1-2H3,(H,23,28);5-10,12,17H,2-4,11,13H2,1H3,(H,22,26);5-9,11-13,15H,2-4,10H2,1H3,(H,22,25);5-9,11-13,16H,2-4,10H2,1H3,(H,22,25);5-7,9-13,16H,2-4,8H2,1H3,(H,22,25)/t2*16-,18+;17-;15-;2*16-/m100000/s1.

What are the key properties of (3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide?

(3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide has a molecular weight of 2316.02 g/mol, XLogP of 24.36, 48 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-5-oxocyclohexa-1,3-diene-1-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 161092596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).