3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride

C14H22ClN5O2 — CID 69249810

IUPAC3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride
SMILESCl.O=C(C1CCN(c2ccc(=O)[nH]n2)CC1)N1CCNCC1
InChIInChI=1S/C14H21N5O2.ClH/c20-13-2-1-12(16-17-13)18-7-3-11(4-8-18)14(21)19-9-5-15-6-10-19;/h1-2,11,15H,3-10H2,(H,17,20);1H
InChIKeyIQIWGKHJPXATRX-UHFFFAOYSA-N
MW327.82 g/mol
LogP-0.16
Rot. Bonds2

About 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride

3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride (PubChem CID 69249810) has the molecular formula C14H22ClN5O2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride
PubChem CID69249810
Molecular FormulaC14H22ClN5O2
Molecular Weight327.82 g/mol
Exact Mass327.15
IUPAC Name3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride
SMILESCl.O=C(C1CCN(c2ccc(=O)[nH]n2)CC1)N1CCNCC1
InChIInChI=1S/C14H21N5O2.ClH/c20-13-2-1-12(16-17-13)18-7-3-11(4-8-18)14(21)19-9-5-15-6-10-19;/h1-2,11,15H,3-10H2,(H,17,20);1H
InChIKeyIQIWGKHJPXATRX-UHFFFAOYSA-N
XLogP-0.16
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride 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-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride?
The IUPAC name of 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride (CID 69249810) is 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride is Cl.O=C(C1CCN(c2ccc(=O)[nH]n2)CC1)N1CCNCC1.
What is the InChIKey of 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride?
The InChIKey is IQIWGKHJPXATRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2.ClH/c20-13-2-1-12(16-17-13)18-7-3-11(4-8-18)14(21)19-9-5-15-6-10-19;/h1-2,11,15H,3-10H2,(H,17,20);1H.
What are the key properties of 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride?
3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride has a molecular weight of 327.82 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 69249810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).