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

C17H27N3O2 — CID 110283730

IUPAC2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCCCN1CCNC(CC(=O)N(CC=C)CC=C)C1=O
InChIInChI=1S/C17H27N3O2/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
InChIKeySVMXOGGQPFZKDK-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.34
Rot. Bonds10

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

2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 110283730) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide
PubChem CID110283730
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCCCN1CCNC(CC(=O)N(CC=C)CC=C)C1=O
InChIInChI=1S/C17H27N3O2/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
InChIKeySVMXOGGQPFZKDK-UHFFFAOYSA-N
XLogP1.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.34
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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Related Compounds

2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide;hydrochloride
CID 110283729
N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride
CID 110283705
N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride
CID 110283755
benzyl 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetate
CID 110283700
2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide;hydrochloride
CID 110284023
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one
CID 110283738
2-(3-oxopiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide
CID 54794749
N,N-dimethyl-2-(3-oxo-4-propylpiperazin-2-yl)acetamide;hydrochloride
CID 110282730
2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride
CID 110282954
N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 110283222
N,N-diethyl-2-(4-methyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110282446
4-(3-ethyl-2-oxopiperazin-1-yl)-N,N-dimethylbutanamide
CID 63602271

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?
The IUPAC name of 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide (CID 110283730) is 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide is C=CCCCN1CCNC(CC(=O)N(CC=C)CC=C)C1=O.
What is the InChIKey of 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is SVMXOGGQPFZKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/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.
What are the key properties of 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide?
2-(3-oxo-4-pent-4-enylpiperazin-2-yl)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.34, 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 is sourced from PubChem (CID 110283730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).