2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide

C20H27N5O2 — CID 45200539

IUPAC2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide
SMILESCc1nccn1CCCNC(=O)CC1C(=O)NCCN1Cc1ccccc1
InChIInChI=1S/C20H27N5O2/c1-16-21-9-12-24(16)11-5-8-22-19(26)14-18-20(27)23-10-13-25(18)15-17-6-3-2-4-7-17/h2-4,6-7,9,12,18H,5,8,10-11,13-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyUYITWTIFDFMAMM-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.09
Rot. Bonds8

About 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide

2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide (PubChem CID 45200539) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide
PubChem CID45200539
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide
SMILESCc1nccn1CCCNC(=O)CC1C(=O)NCCN1Cc1ccccc1
InChIInChI=1S/C20H27N5O2/c1-16-21-9-12-24(16)11-5-8-22-19(26)14-18-20(27)23-10-13-25(18)15-17-6-3-2-4-7-17/h2-4,6-7,9,12,18H,5,8,10-11,13-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyUYITWTIFDFMAMM-UHFFFAOYSA-N
XLogP1.09
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.09
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-(2-methylimidazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide (CID 45200539) is 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide is Cc1nccn1CCCNC(=O)CC1C(=O)NCCN1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide?
The InChIKey is UYITWTIFDFMAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-16-21-9-12-24(16)11-5-8-22-19(26)14-18-20(27)23-10-13-25(18)15-17-6-3-2-4-7-17/h2-4,6-7,9,12,18H,5,8,10-11,13-15H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide?
2-(1-benzyl-3-oxopiperazin-2-yl)-N-[3-(2-methylimidazol-1-yl)propyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.09, 8 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-(2-methylimidazol-1-yl)propyl]acetamide is sourced from PubChem (CID 45200539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).