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

C17H26N4O2 — CID 53203783

IUPACN-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C17H26N4O2/c22-16-10-15(11-18-20-16)21-9-5-6-13(12-21)17(23)19-14-7-3-1-2-4-8-14/h10-11,13-14H,1-9,12H2,(H,19,23)(H,20,22)
InChIKeyQYQAKJZILWZPLR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.83
Rot. Bonds3

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

N-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203783) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203783
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C17H26N4O2/c22-16-10-15(11-18-20-16)21-9-5-6-13(12-21)17(23)19-14-7-3-1-2-4-8-14/h10-11,13-14H,1-9,12H2,(H,19,23)(H,20,22)
InChIKeyQYQAKJZILWZPLR-UHFFFAOYSA-N
XLogP1.83
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (CID 53203783) is N-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is O=C(NC1CCCCCC1)C1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of N-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is QYQAKJZILWZPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-16-10-15(11-18-20-16)21-9-5-6-13(12-21)17(23)19-14-7-3-1-2-4-8-14/h10-11,13-14H,1-9,12H2,(H,19,23)(H,20,22).
What are the key properties of N-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
N-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).