3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C₂₉H₃₄N₄O₃ — CID 134475021

About 3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide

3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 134475021) has the molecular formula C₂₉H₃₄N₄O₃ and a molecular weight of 486.62 g/mol. Its IUPAC name is 3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

• Compound Name: 3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide
• PubChem CID: 134475021
• Molecular Formula: C₂₉H₃₄N₄O₃
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.26
• IUPAC Name: 3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide
• SMILES: CC(C)N1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1
• InChI: InChI=1S/C29H34N4O3/c1-20(2)33-16-12-26(13-17-33)31-29(36)25-5-3-4-24(18-25)27(19-34)32-28(35)23-8-6-21(7-9-23)22-10-14-30-15-11-22/h3-11,14-15,18,20,26-27,34H,12-13,16-17,19H2,1-2H3,(H,31,36)(H,32,35)/t27-/m1/s1
• InChIKey: LLWXTFOSFXWWRN-HHHXNRCGSA-N
• XLogP: 3.81
• TPSA: 94.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide?

The IUPAC name of 3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 134475021) is 3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

What is the SMILES notation for 3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide?

The canonical SMILES for 3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide is CC(C)N1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.

What is the InChIKey of 3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide?

The InChIKey is LLWXTFOSFXWWRN-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-20(2)33-16-12-26(13-17-33)31-29(36)25-5-3-4-24(18-25)27(19-34)32-28(35)23-8-6-21(7-9-23)22-10-14-30-15-11-22/h3-11,14-15,18,20,26-27,34H,12-13,16-17,19H2,1-2H3,(H,31,36)(H,32,35)/t27-/m1/s1.

What are the key properties of 3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide?

3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 486.62 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 134475021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134475021 — identifiers, structure, computed properties (public domain)

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