2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide

C15H26N4O3 — CID 55498763

IUPAC2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C15H26N4O3/c1-2-3-16-14(20)12-17-4-6-19(7-5-17)15(21)13-18-8-10-22-11-9-18/h2H,1,3-13H2,(H,16,20)
InChIKeyNTLJRYVJIXTIEX-UHFFFAOYSA-N
MW310.40 g/mol
LogP-1.24
Rot. Bonds6

About 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 55498763) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID55498763
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C15H26N4O3/c1-2-3-16-14(20)12-17-4-6-19(7-5-17)15(21)13-18-8-10-22-11-9-18/h2H,1,3-13H2,(H,16,20)
InChIKeyNTLJRYVJIXTIEX-UHFFFAOYSA-N
XLogP-1.24
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54869753
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54875154
2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 60708203
2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 60938599
2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 79201471
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60711965
2-morpholin-4-yl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 86019043
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 78787885
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 79270934
2-methyl-3-oxo-3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoic acid
CID 114897489
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837882

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 55498763) is 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is NTLJRYVJIXTIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-2-3-16-14(20)12-17-4-6-19(7-5-17)15(21)13-18-8-10-22-11-9-18/h2H,1,3-13H2,(H,16,20).
What are the key properties of 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 310.40 g/mol, XLogP of -1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 55498763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).