1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride

C15H24ClN3O2 — CID 119471669

IUPAC1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride
SMILESCCc1c(C(=O)N2CCNCC2C)[nH]c(C)c1C(C)=O.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-5-12-13(11(4)19)10(3)17-14(12)15(20)18-7-6-16-8-9(18)2;/h9,16-17H,5-8H2,1-4H3;1H
InChIKeyUQFCADLOWBLPMX-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.94
Rot. Bonds3

About 1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride

1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride (PubChem CID 119471669) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride
PubChem CID119471669
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride
SMILESCCc1c(C(=O)N2CCNCC2C)[nH]c(C)c1C(C)=O.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-5-12-13(11(4)19)10(3)17-14(12)15(20)18-7-6-16-8-9(18)2;/h9,16-17H,5-8H2,1-4H3;1H
InChIKeyUQFCADLOWBLPMX-UHFFFAOYSA-N
XLogP1.94
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 119472352
1-[4-ethyl-5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 120736281
1-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone
CID 120659774
(2S)-1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119366078
1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 119561742
1-[5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 119485122
1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120740108
(3S,4S)-1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952217
4-acetyl-3-ethyl-5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 120813312
1-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 120819242
1-[4-ethyl-2-methyl-5-[(2R)-2-(5-methylfuran-2-yl)azepane-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 99809701
ethyl 2-methylpiperazine-1-carboxylate;hydrochloride
CID 118918526

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride?
The IUPAC name of 1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride (CID 119471669) is 1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride is CCc1c(C(=O)N2CCNCC2C)[nH]c(C)c1C(C)=O.Cl.
What is the InChIKey of 1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride?
The InChIKey is UQFCADLOWBLPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-5-12-13(11(4)19)10(3)17-14(12)15(20)18-7-6-16-8-9(18)2;/h9,16-17H,5-8H2,1-4H3;1H.
What are the key properties of 1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride?
1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride is sourced from PubChem (CID 119471669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).