1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride

C16H25ClN2O3S — CID 119472033

IUPAC1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride
SMILESCC1CNCCN1C(=O)CS(=O)(=O)CCCc1ccccc1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-14-12-17-9-10-18(14)16(19)13-22(20,21)11-5-8-15-6-3-2-4-7-15;/h2-4,6-7,14,17H,5,8-13H2,1H3;1H
InChIKeyBZLJARYJDKHYCU-UHFFFAOYSA-N
MW360.91 g/mol
LogP1.28
Rot. Bonds6

About 1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride

1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride (PubChem CID 119472033) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride
PubChem CID119472033
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride
SMILESCC1CNCCN1C(=O)CS(=O)(=O)CCCc1ccccc1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-14-12-17-9-10-18(14)16(19)13-22(20,21)11-5-8-15-6-3-2-4-7-15;/h2-4,6-7,14,17H,5,8-13H2,1H3;1H
InChIKeyBZLJARYJDKHYCU-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472127
1-(1,4-diazepan-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride
CID 119416707
1-(2-methylpiperazin-1-yl)-4-(2-phenylethoxy)butan-1-one
CID 119471180
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride
CID 119633023
1-(2-methylpiperidin-1-yl)-2-[4-[2-(3-phenylpropylsulfonyl)acetyl]piperazin-1-yl]ethanone
CID 55687508
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentylsulfonylethanone;hydrochloride
CID 120734916
1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119470130
1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 62672588
3-(4-methylphenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82705117
1-(4-benzylpiperidin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone
CID 55466903
3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 122151289
(2-methylpiperazin-1-yl)-[1-[1-(3-phenylpropyl)piperidin-4-yl]piperidin-4-yl]methanone;dihydrochloride
CID 154896164

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride?
The IUPAC name of 1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride (CID 119472033) is 1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride?
The canonical SMILES for 1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride is CC1CNCCN1C(=O)CS(=O)(=O)CCCc1ccccc1.Cl.
What is the InChIKey of 1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride?
The InChIKey is BZLJARYJDKHYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-14-12-17-9-10-18(14)16(19)13-22(20,21)11-5-8-15-6-3-2-4-7-15;/h2-4,6-7,14,17H,5,8-13H2,1H3;1H.
What are the key properties of 1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride?
1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperazin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride is sourced from PubChem (CID 119472033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).