N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide

C18H28N4O2 — CID 97040599

IUPACN-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C18H28N4O2/c1-13-5-3-4-6-15(13)19-18(24)14-9-11-22(12-10-14)16-7-8-17(23)21(2)20-16/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,19,24)/t13-,15+/m1/s1
InChIKeyXFCNMPIYAOYDFM-HIFRSBDPSA-N
MW332.45 g/mol
LogP1.69
Rot. Bonds3

About N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide

N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 97040599) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
PubChem CID97040599
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C18H28N4O2/c1-13-5-3-4-6-15(13)19-18(24)14-9-11-22(12-10-14)16-7-8-17(23)21(2)20-16/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,19,24)/t13-,15+/m1/s1
InChIKeyXFCNMPIYAOYDFM-HIFRSBDPSA-N
XLogP1.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide (CID 97040599) is N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide is C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is XFCNMPIYAOYDFM-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-5-3-4-6-15(13)19-18(24)14-9-11-22(12-10-14)16-7-8-17(23)21(2)20-16/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,19,24)/t13-,15+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 97040599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).