N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride

C18H32Cl2N6O — CID 119393580

IUPACN-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(c2ccccn2)CC1)NCCCN1CCNCC1
InChIInChI=1S/C18H30N6O.2ClH/c25-18(21-6-3-9-22-10-7-19-8-11-22)16-23-12-14-24(15-13-23)17-4-1-2-5-20-17;;/h1-2,4-5,19H,3,6-16H2,(H,21,25);2*1H
InChIKeyDUISPMOSDAISQR-UHFFFAOYSA-N
MW419.40 g/mol
LogP0.46
Rot. Bonds7

About N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride

N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride (PubChem CID 119393580) has the molecular formula C18H32Cl2N6O and a molecular weight of 419.40 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
PubChem CID119393580
Molecular FormulaC18H32Cl2N6O
Molecular Weight419.40 g/mol
Exact Mass418.20
IUPAC NameN-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(c2ccccn2)CC1)NCCCN1CCNCC1
InChIInChI=1S/C18H30N6O.2ClH/c25-18(21-6-3-9-22-10-7-19-8-11-22)16-23-12-14-24(15-13-23)17-4-1-2-5-20-17;;/h1-2,4-5,19H,3,6-16H2,(H,21,25);2*1H
InChIKeyDUISPMOSDAISQR-UHFFFAOYSA-N
XLogP0.46
TPSA63.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 111540248
2,5-dimethyl-N-(3-piperazin-1-ylpropyl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 119393360
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
3-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptane-2,3-dicarboxamide;hydrochloride
CID 70499635
N-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]adamantane-1-carboxamide
CID 139835097
2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392643
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 120947300
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride (CID 119393580) is N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride is Cl.Cl.O=C(CN1CCN(c2ccccn2)CC1)NCCCN1CCNCC1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride?
The InChIKey is DUISPMOSDAISQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O.2ClH/c25-18(21-6-3-9-22-10-7-19-8-11-22)16-23-12-14-24(15-13-23)17-4-1-2-5-20-17;;/h1-2,4-5,19H,3,6-16H2,(H,21,25);2*1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride?
N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride has a molecular weight of 419.40 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119393580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).