1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride

C19H29ClN4O3 — CID 110283156

IUPAC1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
SMILESCl.O=C(CC1NCCN(Cc2ccccc2)C1=O)N1CCN(CCO)CC1
InChIInChI=1S/C19H28N4O3.ClH/c24-13-12-21-8-10-22(11-9-21)18(25)14-17-19(26)23(7-6-20-17)15-16-4-2-1-3-5-16;/h1-5,17,20,24H,6-15H2;1H
InChIKeyAFMPBAPGAQBZBT-UHFFFAOYSA-N
MW396.92 g/mol
LogP-0.06
Rot. Bonds6

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

1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride (PubChem CID 110283156) has the molecular formula C19H29ClN4O3 and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
PubChem CID110283156
Molecular FormulaC19H29ClN4O3
Molecular Weight396.92 g/mol
Exact Mass396.19
IUPAC Name1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride
SMILESCl.O=C(CC1NCCN(Cc2ccccc2)C1=O)N1CCN(CCO)CC1
InChIInChI=1S/C19H28N4O3.ClH/c24-13-12-21-8-10-22(11-9-21)18(25)14-17-19(26)23(7-6-20-17)15-16-4-2-1-3-5-16;/h1-5,17,20,24H,6-15H2;1H
InChIKeyAFMPBAPGAQBZBT-UHFFFAOYSA-N
XLogP-0.06
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one
CID 110283061
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110283805
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283814
3-[2-(azepan-1-yl)-2-oxoethyl]-1-[(3-bromophenyl)methyl]piperazin-2-one;hydrochloride
CID 110283633
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
CID 110283124
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide;hydrochloride
CID 110283148
1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 102002003
(3S)-1-benzyl-3-ethylpiperazin-2-one
CID 45095306
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride (CID 110283156) is 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride is Cl.O=C(CC1NCCN(Cc2ccccc2)C1=O)N1CCN(CCO)CC1.
What is the InChIKey of 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride?
The InChIKey is AFMPBAPGAQBZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3.ClH/c24-13-12-21-8-10-22(11-9-21)18(25)14-17-19(26)23(7-6-20-17)15-16-4-2-1-3-5-16;/h1-5,17,20,24H,6-15H2;1H.
What are the key properties of 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride?
1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 110283156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).