3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride

C14H25ClN4O2 — CID 110283038

IUPAC3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
SMILESC=CCN1CCNC(CC(=O)N2CCN(C)CC2)C1=O.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-3-5-18-6-4-15-12(14(18)20)11-13(19)17-9-7-16(2)8-10-17;/h3,12,15H,1,4-11H2,2H3;1H
InChIKeyBXKNWRLBZPQKGU-UHFFFAOYSA-N
MW316.83 g/mol
LogP-0.44
Rot. Bonds4

About 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride

3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride (PubChem CID 110283038) has the molecular formula C14H25ClN4O2 and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
PubChem CID110283038
Molecular FormulaC14H25ClN4O2
Molecular Weight316.83 g/mol
Exact Mass316.17
IUPAC Name3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
SMILESC=CCN1CCNC(CC(=O)N2CCN(C)CC2)C1=O.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-3-5-18-6-4-15-12(14(18)20)11-13(19)17-9-7-16(2)8-10-17;/h3,12,15H,1,4-11H2,2H3;1H
InChIKeyBXKNWRLBZPQKGU-UHFFFAOYSA-N
XLogP-0.44
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one
CID 110283061
1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110282647
ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride
CID 110283016
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
CID 110282733
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283062
1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282635
1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282452
1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110282942
3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one
CID 110283438
1-(2-ethoxyethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one;hydrochloride
CID 110283521
N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride
CID 110283705
1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110283156

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride (CID 110283038) is 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride is C=CCN1CCNC(CC(=O)N2CCN(C)CC2)C1=O.Cl.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride?
The InChIKey is BXKNWRLBZPQKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.ClH/c1-3-5-18-6-4-15-12(14(18)20)11-13(19)17-9-7-16(2)8-10-17;/h3,12,15H,1,4-11H2,2H3;1H.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride?
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 110283038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).