(4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone

C12H19N3O — CID 39949839

IUPAC(4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cccn2C)CC1
InChIInChI=1S/C12H19N3O/c1-3-14-7-9-15(10-8-14)12(16)11-5-4-6-13(11)2/h4-6H,3,7-10H2,1-2H3
InChIKeyVBWLDCKXPUVJBV-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.80
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone

(4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone (PubChem CID 39949839) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
PubChem CID39949839
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2cccn2C)CC1
InChIInChI=1S/C12H19N3O/c1-3-14-7-9-15(10-8-14)12(16)11-5-4-6-13(11)2/h4-6H,3,7-10H2,1-2H3
InChIKeyVBWLDCKXPUVJBV-UHFFFAOYSA-N
XLogP0.80
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone 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 (4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone (CID 39949839) is (4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone is CCN1CCN(C(=O)c2cccn2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone?
The InChIKey is VBWLDCKXPUVJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-14-7-9-15(10-8-14)12(16)11-5-4-6-13(11)2/h4-6H,3,7-10H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone?
(4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 39949839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).