2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide

C14H26N4O2 — CID 30986795

IUPAC2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C14H26N4O2/c1-4-5-15-13(19)10-17-6-8-18(9-7-17)11-14(20)16-12(2)3/h4,12H,1,5-11H2,2-3H3,(H,15,19)(H,16,20)
InChIKeyZFRJWCMPGHVKHL-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.57
Rot. Bonds7

About 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 30986795) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID30986795
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C14H26N4O2/c1-4-5-15-13(19)10-17-6-8-18(9-7-17)11-14(20)16-12(2)3/h4,12H,1,5-11H2,2-3H3,(H,15,19)(H,16,20)
InChIKeyZFRJWCMPGHVKHL-UHFFFAOYSA-N
XLogP-0.57
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
CID 8893273
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
3-Methyl-1-(prop-2-en-1-yl)piperazin-2-one
CID 20099299
2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 3229462
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937
2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide
CID 113158100
N-methyl-2-piperazin-1-ylbut-3-enamide
CID 176431723
N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
CID 62492486
2-[4-(2,2-difluoroacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 113824523
N-allyl-N'-[3-(dimethylamino)propyl]ethanediamide
CID 2206810
2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide
CID 3220787
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-prop-2-enylacetamide
CID 51073538

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide (CID 30986795) is 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(CC(=O)NC(C)C)CC1.
What is the InChIKey of 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is ZFRJWCMPGHVKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-5-15-13(19)10-17-6-8-18(9-7-17)11-14(20)16-12(2)3/h4,12H,1,5-11H2,2-3H3,(H,15,19)(H,16,20).
What are the key properties of 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 282.39 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 30986795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).