3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride

C12H20Cl2N4O — CID 11971564

IUPAC3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
SMILESCl.Cl.NC(=O)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H18N4O.2ClH/c13-11(17)4-6-15-7-9-16(10-8-15)12-3-1-2-5-14-12;;/h1-3,5H,4,6-10H2,(H2,13,17);2*1H
InChIKeyCZDNKPRRVDGUAB-UHFFFAOYSA-N
MW307.22 g/mol
LogP0.92
Rot. Bonds4

About 3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride

3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride (PubChem CID 11971564) has the molecular formula C12H20Cl2N4O and a molecular weight of 307.22 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
PubChem CID11971564
Molecular FormulaC12H20Cl2N4O
Molecular Weight307.22 g/mol
Exact Mass306.10
IUPAC Name3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
SMILESCl.Cl.NC(=O)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H18N4O.2ClH/c13-11(17)4-6-15-7-9-16(10-8-15)12-3-1-2-5-14-12;;/h1-3,5H,4,6-10H2,(H2,13,17);2*1H
InChIKeyCZDNKPRRVDGUAB-UHFFFAOYSA-N
XLogP0.92
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
CID 24690721
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119572479
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119605702
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
The IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride (CID 11971564) is 3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride.
What is the SMILES notation for 3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
The canonical SMILES for 3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride is Cl.Cl.NC(=O)CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
The InChIKey is CZDNKPRRVDGUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.2ClH/c13-11(17)4-6-15-7-9-16(10-8-15)12-3-1-2-5-14-12;;/h1-3,5H,4,6-10H2,(H2,13,17);2*1H.
What are the key properties of 3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride?
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride has a molecular weight of 307.22 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride is sourced from PubChem (CID 11971564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).