1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone

C17H29N3O — CID 63609430

IUPAC1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)c2cc(C)n(CC)c2C)CC1C
InChIInChI=1S/C17H29N3O/c1-6-19-9-8-18(11-14(19)4)12-17(21)16-10-13(3)20(7-2)15(16)5/h10,14H,6-9,11-12H2,1-5H3
InChIKeyIUIHBRLRSRNXOJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.33
Rot. Bonds5

About 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone

1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone (PubChem CID 63609430) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
PubChem CID63609430
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)c2cc(C)n(CC)c2C)CC1C
InChIInChI=1S/C17H29N3O/c1-6-19-9-8-18(11-14(19)4)12-17(21)16-10-13(3)20(7-2)15(16)5/h10,14H,6-9,11-12H2,1-5H3
InChIKeyIUIHBRLRSRNXOJ-UHFFFAOYSA-N
XLogP2.33
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone (CID 63609430) is 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone is CCN1CCN(CC(=O)c2cc(C)n(CC)c2C)CC1C.
What is the InChIKey of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
The InChIKey is IUIHBRLRSRNXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-19-9-8-18(11-14(19)4)12-17(21)16-10-13(3)20(7-2)15(16)5/h10,14H,6-9,11-12H2,1-5H3.
What are the key properties of 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone has a molecular weight of 291.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63609430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).