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

C19H36N4O3 — CID 24792050

IUPACN-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(C)CCCN1CCOCC1
InChIInChI=1S/C19H36N4O3/c1-16(2)5-9-23-10-6-20-19(25)17(23)15-18(24)21(3)7-4-8-22-11-13-26-14-12-22/h16-17H,4-15H2,1-3H3,(H,20,25)
InChIKeyGUJZEELLKNNWFX-UHFFFAOYSA-N
MW368.52 g/mol
LogP0.40
Rot. Bonds9

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

N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 24792050) has the molecular formula C19H36N4O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID24792050
Molecular FormulaC19H36N4O3
Molecular Weight368.52 g/mol
Exact Mass368.28
IUPAC NameN-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(C)CCCN1CCOCC1
InChIInChI=1S/C19H36N4O3/c1-16(2)5-9-23-10-6-20-19(25)17(23)15-18(24)21(3)7-4-8-22-11-13-26-14-12-22/h16-17H,4-15H2,1-3H3,(H,20,25)
InChIKeyGUJZEELLKNNWFX-UHFFFAOYSA-N
XLogP0.40
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 24792050) is N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide is CC(C)CCN1CCNC(=O)C1CC(=O)N(C)CCCN1CCOCC1.
What is the InChIKey of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is GUJZEELLKNNWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3/c1-16(2)5-9-23-10-6-20-19(25)17(23)15-18(24)21(3)7-4-8-22-11-13-26-14-12-22/h16-17H,4-15H2,1-3H3,(H,20,25).
What are the key properties of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 368.52 g/mol, XLogP of 0.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 24792050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).