[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone

C15H21N5O — CID 128992146

IUPAC[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCCN1CCN(C(=O)c2cc[nH]c2C)CC1c1ncc[nH]1
InChIInChI=1S/C15H21N5O/c1-3-19-8-9-20(10-13(19)14-17-6-7-18-14)15(21)12-4-5-16-11(12)2/h4-7,13,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyIVOUQECFAYAQHJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.57
Rot. Bonds3

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

[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone (PubChem CID 128992146) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
PubChem CID128992146
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCCN1CCN(C(=O)c2cc[nH]c2C)CC1c1ncc[nH]1
InChIInChI=1S/C15H21N5O/c1-3-19-8-9-20(10-13(19)14-17-6-7-18-14)15(21)12-4-5-16-11(12)2/h4-7,13,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyIVOUQECFAYAQHJ-UHFFFAOYSA-N
XLogP1.57
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843
3-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 167822537
(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 128974600
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129001271
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129338090
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129329971
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 129340634
(2,3-difluorophenyl)-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 129332514
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129330127
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 128966110
5-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 128994735
3-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 129336485

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone (CID 128992146) is [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone is CCN1CCN(C(=O)c2cc[nH]c2C)CC1c1ncc[nH]1.
What is the InChIKey of [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
The InChIKey is IVOUQECFAYAQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-19-8-9-20(10-13(19)14-17-6-7-18-14)15(21)12-4-5-16-11(12)2/h4-7,13,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone?
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone has a molecular weight of 287.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 128992146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).