N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

C28H27N3O2S — CID 26010753

About N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 26010753) has the molecular formula C28H27N3O2S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
• PubChem CID: 26010753
• Molecular Formula: C28H27N3O2S
• Molecular Weight: 469.61 g/mol
• Exact Mass: 469.18
• IUPAC Name: N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
• SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1
• InChI: InChI=1S/C28H27N3O2S/c32-26(21-11-5-2-6-12-21)29-24(19-20-9-3-1-4-10-20)28(33)31-17-15-22(16-18-31)27-30-23-13-7-8-14-25(23)34-27/h1-14,22,24H,15-19H2,(H,29,32)/t24-/m0/s1
• InChIKey: YFAHVVXNVZNFLV-DEOSSOPVSA-N
• XLogP: 5.04
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.61
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?

The IUPAC name of N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 26010753) is N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.

What is the SMILES notation for N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?

The canonical SMILES for N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1.

What is the InChIKey of N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?

The InChIKey is YFAHVVXNVZNFLV-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H27N3O2S/c32-26(21-11-5-2-6-12-21)29-24(19-20-9-3-1-4-10-20)28(33)31-17-15-22(16-18-31)27-30-23-13-7-8-14-25(23)34-27/h1-14,22,24H,15-19H2,(H,29,32)/t24-/m0/s1.

What are the key properties of N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?

N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 469.61 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 26010753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).