1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one

C14H18ClN5O2 — CID 118740525

IUPAC1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one
SMILESO=C(N1CCCCC1)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C14H18ClN5O2/c15-11-4-5-12(17-16-11)20-9-8-19(10-13(20)21)14(22)18-6-2-1-3-7-18/h4-5H,1-3,6-10H2
InChIKeyXUTLUVDZOXLESP-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.38
Rot. Bonds1

About 1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one

1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one (PubChem CID 118740525) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one
PubChem CID118740525
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC Name1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one
SMILESO=C(N1CCCCC1)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C14H18ClN5O2/c15-11-4-5-12(17-16-11)20-9-8-19(10-13(20)21)14(22)18-6-2-1-3-7-18/h4-5H,1-3,6-10H2
InChIKeyXUTLUVDZOXLESP-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one (CID 118740525) is 1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one is O=C(N1CCCCC1)N1CCN(c2ccc(Cl)nn2)C(=O)C1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one?
The InChIKey is XUTLUVDZOXLESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c15-11-4-5-12(17-16-11)20-9-8-19(10-13(20)21)14(22)18-6-2-1-3-7-18/h4-5H,1-3,6-10H2.
What are the key properties of 1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one?
1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one has a molecular weight of 323.78 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-4-(piperidine-1-carbonyl)piperazin-2-one is sourced from PubChem (CID 118740525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).