2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide

C21H38N4O3 — CID 45184014

IUPAC2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCN(CCCN1CCOCC1)C(=O)CC1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C21H38N4O3/c1-23(9-5-10-24-12-14-28-15-13-24)20(26)16-19-21(27)22-8-11-25(19)17-18-6-3-2-4-7-18/h18-19H,2-17H2,1H3,(H,22,27)
InChIKeyCUSJQLBBVKWNQE-UHFFFAOYSA-N
MW394.56 g/mol
LogP0.94
Rot. Bonds8

About 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide

2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 45184014) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID45184014
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCN(CCCN1CCOCC1)C(=O)CC1C(=O)NCCN1CC1CCCCC1
InChIInChI=1S/C21H38N4O3/c1-23(9-5-10-24-12-14-28-15-13-24)20(26)16-19-21(27)22-8-11-25(19)17-18-6-3-2-4-7-18/h18-19H,2-17H2,1H3,(H,22,27)
InChIKeyCUSJQLBBVKWNQE-UHFFFAOYSA-N
XLogP0.94
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide (CID 45184014) is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide is CN(CCCN1CCOCC1)C(=O)CC1C(=O)NCCN1CC1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is CUSJQLBBVKWNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-23(9-5-10-24-12-14-28-15-13-24)20(26)16-19-21(27)22-8-11-25(19)17-18-6-3-2-4-7-18/h18-19H,2-17H2,1H3,(H,22,27).
What are the key properties of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide?
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 394.56 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 45184014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).