4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one

C21H38N4O3 — CID 45209618

IUPAC4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C21H38N4O3/c1-17(2)3-7-24-10-6-22-21(27)19(24)15-20(26)25-8-4-18(5-9-25)16-23-11-13-28-14-12-23/h17-19H,3-16H2,1-2H3,(H,22,27)
InChIKeyJJIIOWVOOAJWFJ-UHFFFAOYSA-N
MW394.56 g/mol
LogP0.79
Rot. Bonds7

About 4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one

4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 45209618) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID45209618
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC Name4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C21H38N4O3/c1-17(2)3-7-24-10-6-22-21(27)19(24)15-20(26)25-8-4-18(5-9-25)16-23-11-13-28-14-12-23/h17-19H,3-16H2,1-2H3,(H,22,27)
InChIKeyJJIIOWVOOAJWFJ-UHFFFAOYSA-N
XLogP0.79
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one with MolForge

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Related Compounds

N-methyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24792050
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24819132
4-(2,2-Dimethylpropyl)-3-{2-[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]-2-oxoethyl}piperazin-2-one
CID 16188943
1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 3415217
2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 24791321
N1-((1-isopropylpiperidin-4-yl)methyl)-N2-(2-morpholinoethyl)oxalamide
CID 16886595
4-(1-Methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134789946
[1-(3-Amino-5-fluoropiperidin-4-yl)piperidin-4-yl]-[4-(3-methyloxetan-3-yl)piperazin-1-yl]methanone
CID 144642074
methyl (2R)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate
CID 7664022
2-(1-methyl-3-oxo-2-piperazinyl)-N-[5-(4-morpholinyl)pentyl]acetamide
CID 45174698
2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-methyl-N-[4-(4-morpholinyl)butyl]acetamide
CID 45177104
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-methyl-N-[3-(4-morpholinyl)propyl]acetamide
CID 45184014

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one (CID 45209618) is 4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one is CC(C)CCN1CCNC(=O)C1CC(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is JJIIOWVOOAJWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-17(2)3-7-24-10-6-22-21(27)19(24)15-20(26)25-8-4-18(5-9-25)16-23-11-13-28-14-12-23/h17-19H,3-16H2,1-2H3,(H,22,27).
What are the key properties of 4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one?
4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 394.56 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-3-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 45209618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).