1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride

C15H27ClN4O2 — CID 110282647

IUPAC1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
SMILESCN1CCN(C(=O)CC2NCCN(CC3CC3)C2=O)CC1.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-17-6-8-18(9-7-17)14(20)10-13-15(21)19(5-4-16-13)11-12-2-3-12;/h12-13,16H,2-11H2,1H3;1H
InChIKeyBSRQBUDIOPYHBV-UHFFFAOYSA-N
MW330.86 g/mol
LogP-0.22
Rot. Bonds4

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

1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride (PubChem CID 110282647) has the molecular formula C15H27ClN4O2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
PubChem CID110282647
Molecular FormulaC15H27ClN4O2
Molecular Weight330.86 g/mol
Exact Mass330.18
IUPAC Name1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
SMILESCN1CCN(C(=O)CC2NCCN(CC3CC3)C2=O)CC1.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-17-6-8-18(9-7-17)14(20)10-13-15(21)19(5-4-16-13)11-12-2-3-12;/h12-13,16H,2-11H2,1H3;1H
InChIKeyBSRQBUDIOPYHBV-UHFFFAOYSA-N
XLogP-0.22
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282635
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283038
3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one
CID 110283438
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 110283411
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
CID 110282733
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110282708
1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110282942
1-(2-ethoxyethyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one;hydrochloride
CID 110283521
1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282452
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
CID 110282688
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one
CID 110283061
N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride
CID 110282667

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride (CID 110282647) is 1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride is CN1CCN(C(=O)CC2NCCN(CC3CC3)C2=O)CC1.Cl.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
The InChIKey is BSRQBUDIOPYHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2.ClH/c1-17-6-8-18(9-7-17)14(20)10-13-15(21)19(5-4-16-13)11-12-2-3-12;/h12-13,16H,2-11H2,1H3;1H.
What are the key properties of 1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride?
1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 110282647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).