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

C17H26N4O2 — CID 53203799

IUPACN-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESCC1CCC(NC(=O)C2CCCN(c3cn[nH]c(=O)c3)C2)CC1
InChIInChI=1S/C17H26N4O2/c1-12-4-6-14(7-5-12)19-17(23)13-3-2-8-21(11-13)15-9-16(22)20-18-10-15/h9-10,12-14H,2-8,11H2,1H3,(H,19,23)(H,20,22)
InChIKeyBKHURIARWHZQNO-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.68
Rot. Bonds3

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

N-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203799) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203799
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESCC1CCC(NC(=O)C2CCCN(c3cn[nH]c(=O)c3)C2)CC1
InChIInChI=1S/C17H26N4O2/c1-12-4-6-14(7-5-12)19-17(23)13-3-2-8-21(11-13)15-9-16(22)20-18-10-15/h9-10,12-14H,2-8,11H2,1H3,(H,19,23)(H,20,22)
InChIKeyBKHURIARWHZQNO-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (CID 53203799) is N-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is CC1CCC(NC(=O)C2CCCN(c3cn[nH]c(=O)c3)C2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is BKHURIARWHZQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-4-6-14(7-5-12)19-17(23)13-3-2-8-21(11-13)15-9-16(22)20-18-10-15/h9-10,12-14H,2-8,11H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
N-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).