2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride

C17H26ClN3O — CID 170862215

IUPAC2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride
SMILESCN1CCN(CC(=O)c2cccc(N3CCCC3)c2)CC1.Cl
InChIInChI=1S/C17H25N3O.ClH/c1-18-9-11-19(12-10-18)14-17(21)15-5-4-6-16(13-15)20-7-2-3-8-20;/h4-6,13H,2-3,7-12,14H2,1H3;1H
InChIKeyTUJHHWZHTZOUNW-UHFFFAOYSA-N
MW323.87 g/mol
LogP2.14
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride

2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride (PubChem CID 170862215) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride
PubChem CID170862215
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride
SMILESCN1CCN(CC(=O)c2cccc(N3CCCC3)c2)CC1.Cl
InChIInChI=1S/C17H25N3O.ClH/c1-18-9-11-19(12-10-18)14-17(21)15-5-4-6-16(13-15)20-7-2-3-8-20;/h4-6,13H,2-3,7-12,14H2,1H3;1H
InChIKeyTUJHHWZHTZOUNW-UHFFFAOYSA-N
XLogP2.14
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 170861612
1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride
CID 21114970
2-(4-methyl-1,4-diazepan-1-yl)-1-(3-methylphenyl)ethanone
CID 43794788
1-[3-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862084
3-(2-pyrrolidin-1-ylacetyl)benzoic acid
CID 115039403
1-[3-(4-methoxyphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862095
1-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861605
1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51363163
2-methyl-5-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 82052175
1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 82071216
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-(3-methylphenyl)ethanone
CID 107223640
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride (CID 170862215) is 2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride is CN1CCN(CC(=O)c2cccc(N3CCCC3)c2)CC1.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride?
The InChIKey is TUJHHWZHTZOUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.ClH/c1-18-9-11-19(12-10-18)14-17(21)15-5-4-6-16(13-15)20-7-2-3-8-20;/h4-6,13H,2-3,7-12,14H2,1H3;1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride?
2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride has a molecular weight of 323.87 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(3-pyrrolidin-1-ylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 170862215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).