2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride

C18H26ClN3O2 — CID 119311727

IUPAC2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCc1ccccc1CC(=O)N1CCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-14-5-2-3-6-15(14)13-17(22)20-9-11-21(12-10-20)18(23)16-7-4-8-19-16;/h2-3,5-6,16,19H,4,7-13H2,1H3;1H
InChIKeyOPXHZBWVJDNCTQ-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.38
Rot. Bonds3

About 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride

2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 119311727) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID119311727
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCc1ccccc1CC(=O)N1CCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-14-5-2-3-6-15(14)13-17(22)20-9-11-21(12-10-20)18(23)16-7-4-8-19-16;/h2-3,5-6,16,19H,4,7-13H2,1H3;1H
InChIKeyOPXHZBWVJDNCTQ-UHFFFAOYSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119311728
2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119306855
2-(4-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119314457
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
2-(2-methylphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119763352
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
2-(2-methylphenoxy)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119330992
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93266197
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
3-phenyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119306810
[4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 142475066
2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119288335

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride (CID 119311727) is 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride is Cc1ccccc1CC(=O)N1CCN(C(=O)C2CCCN2)CC1.Cl.
What is the InChIKey of 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is OPXHZBWVJDNCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-14-5-2-3-6-15(14)13-17(22)20-9-11-21(12-10-20)18(23)16-7-4-8-19-16;/h2-3,5-6,16,19H,4,7-13H2,1H3;1H.
What are the key properties of 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119311727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).