N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

C16H24N4O2 — CID 53203846

IUPACN-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C16H24N4O2/c21-15-9-14(10-17-19-15)20-8-4-5-12(11-20)16(22)18-13-6-2-1-3-7-13/h9-10,12-13H,1-8,11H2,(H,18,22)(H,19,21)
InChIKeyMHBDPLOBMIGGKG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.44
Rot. Bonds3

About N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203846) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203846
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C16H24N4O2/c21-15-9-14(10-17-19-15)20-8-4-5-12(11-20)16(22)18-13-6-2-1-3-7-13/h9-10,12-13H,1-8,11H2,(H,18,22)(H,19,21)
InChIKeyMHBDPLOBMIGGKG-UHFFFAOYSA-N
XLogP1.44
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (CID 53203846) is N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is O=C(NC1CCCCC1)C1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is MHBDPLOBMIGGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15-9-14(10-17-19-15)20-8-4-5-12(11-20)16(22)18-13-6-2-1-3-7-13/h9-10,12-13H,1-8,11H2,(H,18,22)(H,19,21).
What are the key properties of N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).