N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide

C20H27N5O3 — CID 95133334

About N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide

N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 95133334) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
• PubChem CID: 95133334
• Molecular Formula: C20H27N5O3
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.21
• IUPAC Name: N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
• SMILES: CC(=O)Nc1ccccc1NC(=O)CN1CCC([C@H](O)c2nccn2C)CC1
• InChI: InChI=1S/C20H27N5O3/c1-14(26)22-16-5-3-4-6-17(16)23-18(27)13-25-10-7-15(8-11-25)19(28)20-21-9-12-24(20)2/h3-6,9,12,15,19,28H,7-8,10-11,13H2,1-2H3,(H,22,26)(H,23,27)/t19-/m0/s1
• InChIKey: PXBOXDNLIBRUML-IBGZPJMESA-N
• XLogP: 1.76
• TPSA: 99.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?

The IUPAC name of N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide (CID 95133334) is N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide.

What is the SMILES notation for N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?

The canonical SMILES for N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide is CC(=O)Nc1ccccc1NC(=O)CN1CCC([C@H](O)c2nccn2C)CC1.

What is the InChIKey of N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?

The InChIKey is PXBOXDNLIBRUML-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14(26)22-16-5-3-4-6-17(16)23-18(27)13-25-10-7-15(8-11-25)19(28)20-21-9-12-24(20)2/h3-6,9,12,15,19,28H,7-8,10-11,13H2,1-2H3,(H,22,26)(H,23,27)/t19-/m0/s1.

What are the key properties of N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide?

N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95133334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).