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

C14H22ClN3O2 — CID 119472352

IUPAC1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCNCC2C)c1C.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-8-7-15-5-6-17(8)14(19)13-9(2)12(11(4)18)10(3)16-13;/h8,15-16H,5-7H2,1-4H3;1H
InChIKeyDRMMLTBCOMYMOA-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.69
Rot. Bonds2

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

1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride (PubChem CID 119472352) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride
PubChem CID119472352
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCNCC2C)c1C.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-8-7-15-5-6-17(8)14(19)13-9(2)12(11(4)18)10(3)16-13;/h8,15-16H,5-7H2,1-4H3;1H
InChIKeyDRMMLTBCOMYMOA-UHFFFAOYSA-N
XLogP1.69
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-ethyl-2-methyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 119471669
1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120733023
1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120740108
1-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120735787
4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119452631
(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365299
(3,5-dimethyl-1H-pyrazol-4-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755254
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119471534
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride?
The IUPAC name of 1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride (CID 119472352) is 1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride is CC(=O)c1c(C)[nH]c(C(=O)N2CCNCC2C)c1C.Cl.
What is the InChIKey of 1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride?
The InChIKey is DRMMLTBCOMYMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-8-7-15-5-6-17(8)14(19)13-9(2)12(11(4)18)10(3)16-13;/h8,15-16H,5-7H2,1-4H3;1H.
What are the key properties of 1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride?
1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-5-(2-methylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone;hydrochloride is sourced from PubChem (CID 119472352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).