N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C17H24FN3O5 — CID 95717377

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 95717377) has the molecular formula C17H24FN3O5 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
• PubChem CID: 95717377
• Molecular Formula: C17H24FN3O5
• Molecular Weight: 369.39 g/mol
• Exact Mass: 369.17
• IUPAC Name: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
• SMILES: O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)NC(CO)(CO)CO
• InChI: InChI=1S/C17H24FN3O5/c18-13-3-1-12(2-4-13)8-21-6-5-19-16(26)14(21)7-15(25)20-17(9-22,10-23)11-24/h1-4,14,22-24H,5-11H2,(H,19,26)(H,20,25)/t14-/m1/s1
• InChIKey: RXYYWHPLKOUNGT-CQSZACIVSA-N
• XLogP: -1.65
• TPSA: 122.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.39
LogP ≤ 5	-1.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?

The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 95717377) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?

The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)NC(CO)(CO)CO.

What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?

The InChIKey is RXYYWHPLKOUNGT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24FN3O5/c18-13-3-1-12(2-4-13)8-21-6-5-19-16(26)14(21)7-15(25)20-17(9-22,10-23)11-24/h1-4,14,22-24H,5-11H2,(H,19,26)(H,20,25)/t14-/m1/s1.

What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 369.39 g/mol, XLogP of -1.65, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95717377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).