3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one

C12H20N4O — CID 82476481

IUPAC3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one
SMILESCn1ccc(N2CCN(C(=O)CCN)CC2)c1
InChIInChI=1S/C12H20N4O/c1-14-5-3-11(10-14)15-6-8-16(9-7-15)12(17)2-4-13/h3,5,10H,2,4,6-9,13H2,1H3
InChIKeyAPXBBXBYLLHVOC-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.02
Rot. Bonds3

About 3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one

3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 82476481) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one
PubChem CID82476481
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one
SMILESCn1ccc(N2CCN(C(=O)CCN)CC2)c1
InChIInChI=1S/C12H20N4O/c1-14-5-3-11(10-14)15-6-8-16(9-7-15)12(17)2-4-13/h3,5,10H,2,4,6-9,13H2,1H3
InChIKeyAPXBBXBYLLHVOC-UHFFFAOYSA-N
XLogP0.02
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one 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 3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one (CID 82476481) is 3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one is Cn1ccc(N2CCN(C(=O)CCN)CC2)c1.
What is the InChIKey of 3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is APXBBXBYLLHVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-14-5-3-11(10-14)15-6-8-16(9-7-15)12(17)2-4-13/h3,5,10H,2,4,6-9,13H2,1H3.
What are the key properties of 3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one?
3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 236.32 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(1-methylpyrrol-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 82476481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).