[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone

C14H19N5O — CID 129478430

IUPAC[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCN1CCN(C(=O)c2cc[nH]c2)C[C@@H]1c1nccn1C
InChIInChI=1S/C14H19N5O/c1-17-7-8-19(14(20)11-3-4-15-9-11)10-12(17)13-16-5-6-18(13)2/h3-6,9,12,15H,7-8,10H2,1-2H3/t12-/m1/s1
InChIKeyCETBPFATUCWMDD-GFCCVEGCSA-N
MW273.34 g/mol
LogP0.88
Rot. Bonds2

About [(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone

[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 129478430) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID129478430
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCN1CCN(C(=O)c2cc[nH]c2)C[C@@H]1c1nccn1C
InChIInChI=1S/C14H19N5O/c1-17-7-8-19(14(20)11-3-4-15-9-11)10-12(17)13-16-5-6-18(13)2/h3-6,9,12,15H,7-8,10H2,1-2H3/t12-/m1/s1
InChIKeyCETBPFATUCWMDD-GFCCVEGCSA-N
XLogP0.88
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone with MolForge

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Related Compounds

1H-indol-5-yl-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478992
(5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129474214
(5-fluoro-2-pyridinyl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128966106
[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 128992746
(3-bromo-4-methoxyphenyl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 166229327
(2,6-dimethylpyrimidin-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129001283
2,3-dihydro-1H-inden-4-yl-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128992767
(2,4-dimethylpyrimidin-5-yl)-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129479039
(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478549
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128997376
(4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478872
(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129341721

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 129478430) is [(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone is CN1CCN(C(=O)c2cc[nH]c2)C[C@@H]1c1nccn1C.
What is the InChIKey of [(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is CETBPFATUCWMDD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O/c1-17-7-8-19(14(20)11-3-4-15-9-11)10-12(17)13-16-5-6-18(13)2/h3-6,9,12,15H,7-8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of [(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 129478430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).