2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

C16H27N3O — CID 62775217

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCCC(C)N1CCN(CC(=O)c2cc(C)[nH]c2C)CC1
InChIInChI=1S/C16H27N3O/c1-5-13(3)19-8-6-18(7-9-19)11-16(20)15-10-12(2)17-14(15)4/h10,13,17H,5-9,11H2,1-4H3
InChIKeyDHTZJWHUDPQYJB-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.23
Rot. Bonds5

About 2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (PubChem CID 62775217) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
PubChem CID62775217
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCCC(C)N1CCN(CC(=O)c2cc(C)[nH]c2C)CC1
InChIInChI=1S/C16H27N3O/c1-5-13(3)19-8-6-18(7-9-19)11-16(20)15-10-12(2)17-14(15)4/h10,13,17H,5-9,11H2,1-4H3
InChIKeyDHTZJWHUDPQYJB-UHFFFAOYSA-N
XLogP2.23
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CID 62775217) is 2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is CCC(C)N1CCN(CC(=O)c2cc(C)[nH]c2C)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is DHTZJWHUDPQYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-13(3)19-8-6-18(7-9-19)11-16(20)15-10-12(2)17-14(15)4/h10,13,17H,5-9,11H2,1-4H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 277.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 62775217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).