2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide

C18H27N3O2 — CID 23723417

IUPAC2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide
SMILESCC(C)N1CCNC(=O)C1CC(=O)NCCCc1ccccc1
InChIInChI=1S/C18H27N3O2/c1-14(2)21-12-11-20-18(23)16(21)13-17(22)19-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAUZNDZDBUKPFOP-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.33
Rot. Bonds7

About 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide

2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 23723417) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide
PubChem CID23723417
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide
SMILESCC(C)N1CCNC(=O)C1CC(=O)NCCCc1ccccc1
InChIInChI=1S/C18H27N3O2/c1-14(2)21-12-11-20-18(23)16(21)13-17(22)19-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAUZNDZDBUKPFOP-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide (CID 23723417) is 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide is CC(C)N1CCNC(=O)C1CC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is AUZNDZDBUKPFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(2)21-12-11-20-18(23)16(21)13-17(22)19-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide?
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 23723417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).