2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

C13H24N4O3 — CID 108994880

IUPAC2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=CN1CCN(CC(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C13H24N4O3/c18-12-17-5-3-16(4-6-17)11-13(19)14-1-2-15-7-9-20-10-8-15/h12H,1-11H2,(H,14,19)
InChIKeyOSXLDLYAFNGVSK-UHFFFAOYSA-N
MW284.36 g/mol
LogP-1.79
Rot. Bonds6

About 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 108994880) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID108994880
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=CN1CCN(CC(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C13H24N4O3/c18-12-17-5-3-16(4-6-17)11-13(19)14-1-2-15-7-9-20-10-8-15/h12H,1-11H2,(H,14,19)
InChIKeyOSXLDLYAFNGVSK-UHFFFAOYSA-N
XLogP-1.79
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 108993688
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 109147174
2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109253039
3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943424
2-[7-(carboxymethyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]-10-[2-[[2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 122380737
4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
CID 39256191
6-amino-N-(2-morpholin-4-ylethyl)hexanamide
CID 24707853
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167457689
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 19258233
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 108994880) is 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is O=CN1CCN(CC(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is OSXLDLYAFNGVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c18-12-17-5-3-16(4-6-17)11-13(19)14-1-2-15-7-9-20-10-8-15/h12H,1-11H2,(H,14,19).
What are the key properties of 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of -1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 108994880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).