2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide

C17H31N3O3 — CID 45173714

IUPAC2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CC1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C17H31N3O3/c1-23-11-5-8-18-16(21)12-15-17(22)19-9-10-20(15)13-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyRBFZIKVKHPLELW-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.91
Rot. Bonds8

About 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide

2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 45173714) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide
PubChem CID45173714
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CC1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C17H31N3O3/c1-23-11-5-8-18-16(21)12-15-17(22)19-9-10-20(15)13-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyRBFZIKVKHPLELW-UHFFFAOYSA-N
XLogP0.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide (CID 45173714) is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CC1C(=O)NCCN1CC1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is RBFZIKVKHPLELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-23-11-5-8-18-16(21)12-15-17(22)19-9-10-20(15)13-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide?
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 325.45 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 45173714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).