2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride

C17H28ClN3O2 — CID 110283729

IUPAC2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride
SMILESC=CCCCN1CCNC(CC(=O)N(CC=C)CC=C)C1=O.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-4-7-8-12-20-13-9-18-15(17(20)22)14-16(21)19(10-5-2)11-6-3;/h4-6,15,18H,1-3,7-14H2;1H
InChIKeyKVBDRNXSKAZDNB-UHFFFAOYSA-N
MW341.88 g/mol
LogP1.77
Rot. Bonds10

About 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride

2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride (PubChem CID 110283729) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride
PubChem CID110283729
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride
SMILESC=CCCCN1CCNC(CC(=O)N(CC=C)CC=C)C1=O.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-4-7-8-12-20-13-9-18-15(17(20)22)14-16(21)19(10-5-2)11-6-3;/h4-6,15,18H,1-3,7-14H2;1H
InChIKeyKVBDRNXSKAZDNB-UHFFFAOYSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride (CID 110283729) is 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride is C=CCCCN1CCNC(CC(=O)N(CC=C)CC=C)C1=O.Cl.
What is the InChIKey of 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride?
The InChIKey is KVBDRNXSKAZDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-4-7-8-12-20-13-9-18-15(17(20)22)14-16(21)19(10-5-2)11-6-3;/h4-6,15,18H,1-3,7-14H2;1H.
What are the key properties of 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride?
2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 1.77, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride is sourced from PubChem (CID 110283729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).