N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

C26H26N4O3 — CID 46563500

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 46563500) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
• PubChem CID: 46563500
• Molecular Formula: C26H26N4O3
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.20
• IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
• SMILES: O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1CCN(C(=O)c2ccco2)CC1
• InChI: InChI=1S/C26H26N4O3/c31-25(19-12-14-30(15-13-19)26(32)23-11-6-16-33-23)29-22(17-18-7-2-1-3-8-18)24-27-20-9-4-5-10-21(20)28-24/h1-11,16,19,22H,12-15,17H2,(H,27,28)(H,29,31)/t22-/m0/s1
• InChIKey: ZWEVINVXENDKRM-QFIPXVFZSA-N
• XLogP: 4.11
• TPSA: 91.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?

The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 46563500) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?

The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1CCN(C(=O)c2ccco2)CC1.

What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?

The InChIKey is ZWEVINVXENDKRM-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H26N4O3/c31-25(19-12-14-30(15-13-19)26(32)23-11-6-16-33-23)29-22(17-18-7-2-1-3-8-18)24-27-20-9-4-5-10-21(20)28-24/h1-11,16,19,22H,12-15,17H2,(H,27,28)(H,29,31)/t22-/m0/s1.

What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46563500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).