N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride

C13H24ClN3O2 — CID 110283705

IUPACN,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride
SMILESC=CCCCN1CCNC(CC(=O)N(C)C)C1=O.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-4-5-6-8-16-9-7-14-11(13(16)18)10-12(17)15(2)3;/h4,11,14H,1,5-10H2,2-3H3;1H
InChIKeySEFQYDXMIYMSGS-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.65
Rot. Bonds6

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

N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride (PubChem CID 110283705) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride
PubChem CID110283705
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC NameN,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride
SMILESC=CCCCN1CCNC(CC(=O)N(C)C)C1=O.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-4-5-6-8-16-9-7-14-11(13(16)18)10-12(17)15(2)3;/h4,11,14H,1,5-10H2,2-3H3;1H
InChIKeySEFQYDXMIYMSGS-UHFFFAOYSA-N
XLogP0.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.65
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'}

Analyze N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride
CID 110283729
2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide
CID 110283730
N,N-dimethyl-2-(3-oxo-4-propylpiperazin-2-yl)acetamide;hydrochloride
CID 110282730
N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride
CID 110283755
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 110283411
4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide
CID 63602271
benzyl 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetate
CID 110283700
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one
CID 110283738
ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride
CID 110283016
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283038
N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 110283222
2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride
CID 110282954

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride?
The IUPAC name of N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride (CID 110283705) is N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride is C=CCCCN1CCNC(CC(=O)N(C)C)C1=O.Cl.
What is the InChIKey of N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride?
The InChIKey is SEFQYDXMIYMSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c1-4-5-6-8-16-9-7-14-11(13(16)18)10-12(17)15(2)3;/h4,11,14H,1,5-10H2,2-3H3;1H.
What are the key properties of N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride?
N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 110283705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).