2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide

C21H26N4O3 — CID 24790546

IUPAC2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1)NCCCOc1cccnc1
InChIInChI=1S/C21H26N4O3/c26-20(23-10-5-13-28-18-8-4-9-22-15-18)14-19-21(27)24-11-12-25(19)16-17-6-2-1-3-7-17/h1-4,6-9,15,19H,5,10-14,16H2,(H,23,26)(H,24,27)
InChIKeyHAWLSDLXODMYBB-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.36
Rot. Bonds9

About 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide

2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide (PubChem CID 24790546) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide
PubChem CID24790546
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1)NCCCOc1cccnc1
InChIInChI=1S/C21H26N4O3/c26-20(23-10-5-13-28-18-8-4-9-22-15-18)14-19-21(27)24-11-12-25(19)16-17-6-2-1-3-7-17/h1-4,6-9,15,19H,5,10-14,16H2,(H,23,26)(H,24,27)
InChIKeyHAWLSDLXODMYBB-UHFFFAOYSA-N
XLogP1.36
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide?
The IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide (CID 24790546) is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide.
What is the SMILES notation for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide?
The canonical SMILES for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide is O=C(CC1C(=O)NCCN1Cc1ccccc1)NCCCOc1cccnc1.
What is the InChIKey of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide?
The InChIKey is HAWLSDLXODMYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-20(23-10-5-13-28-18-8-4-9-22-15-18)14-19-21(27)24-11-12-25(19)16-17-6-2-1-3-7-17/h1-4,6-9,15,19H,5,10-14,16H2,(H,23,26)(H,24,27).
What are the key properties of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide?
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-(3-pyridin-3-yloxypropyl)acetamide is sourced from PubChem (CID 24790546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).