N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide

C14H26N4O2 — CID 58861601

IUPACN-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide
SMILESC=COCNCCN1CCN(CCNC(=O)C=C)CC1
InChIInChI=1S/C14H26N4O2/c1-3-14(19)16-6-8-18-11-9-17(10-12-18)7-5-15-13-20-4-2/h3-4,15H,1-2,5-13H2,(H,16,19)
InChIKeyRRHGRFFBMINNPK-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.39
Rot. Bonds10

About N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide

N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide (PubChem CID 58861601) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide
PubChem CID58861601
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide
SMILESC=COCNCCN1CCN(CCNC(=O)C=C)CC1
InChIInChI=1S/C14H26N4O2/c1-3-14(19)16-6-8-18-11-9-17(10-12-18)7-5-15-13-20-4-2/h3-4,15H,1-2,5-13H2,(H,16,19)
InChIKeyRRHGRFFBMINNPK-UHFFFAOYSA-N
XLogP-0.39
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]prop-2-enamide
CID 125422227
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide
CID 112724016
2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide
CID 163501732
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79285589
ethenyl 2-(prop-2-enoylamino)ethyl carbonate
CID 146262036
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 61251523
4-[2-(azepan-1-yl)ethylamino]-4-oxobut-2-enoic acid
CID 61241160
(E)-4-oxo-4-(2-piperidin-1-ylethylamino)but-2-enoic acid
CID 94229293
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide
CID 146091961

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide (CID 58861601) is N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide is C=COCNCCN1CCN(CCNC(=O)C=C)CC1.
What is the InChIKey of N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide?
The InChIKey is RRHGRFFBMINNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-14(19)16-6-8-18-11-9-17(10-12-18)7-5-15-13-20-4-2/h3-4,15H,1-2,5-13H2,(H,16,19).
What are the key properties of N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide?
N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide has a molecular weight of 282.39 g/mol, XLogP of -0.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(ethenoxymethylamino)ethyl]piperazin-1-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 58861601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).