1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride

C17H21ClN4O2 — CID 120732596

IUPAC1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride
SMILESCC(=O)c1cc(C(=O)N2CCNCC2c2cccnc2)n(C)c1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-12(22)14-8-15(20(2)11-14)17(23)21-7-6-19-10-16(21)13-4-3-5-18-9-13;/h3-5,8-9,11,16,19H,6-7,10H2,1-2H3;1H
InChIKeyIQMVROLDMHVNIX-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.83
Rot. Bonds3

About 1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride

1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride (PubChem CID 120732596) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride
PubChem CID120732596
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride
SMILESCC(=O)c1cc(C(=O)N2CCNCC2c2cccnc2)n(C)c1.Cl
InChIInChI=1S/C17H20N4O2.ClH/c1-12(22)14-8-15(20(2)11-14)17(23)21-7-6-19-10-16(21)13-4-3-5-18-9-13;/h3-5,8-9,11,16,19H,6-7,10H2,1-2H3;1H
InChIKeyIQMVROLDMHVNIX-UHFFFAOYSA-N
XLogP1.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one;hydrochloride
CID 120729468
(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731862
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469
(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731863
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride?
The IUPAC name of 1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride (CID 120732596) is 1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride is CC(=O)c1cc(C(=O)N2CCNCC2c2cccnc2)n(C)c1.Cl.
What is the InChIKey of 1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride?
The InChIKey is IQMVROLDMHVNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.ClH/c1-12(22)14-8-15(20(2)11-14)17(23)21-7-6-19-10-16(21)13-4-3-5-18-9-13;/h3-5,8-9,11,16,19H,6-7,10H2,1-2H3;1H.
What are the key properties of 1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride?
1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrol-3-yl]ethanone;hydrochloride is sourced from PubChem (CID 120732596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).