N-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide

C18H28N4O2 — CID 71795289

IUPACN-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
SMILESCC1CCCCC1NC(=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)
InChIKeyXFCNMPIYAOYDFM-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.69
Rot. Bonds3

About N-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide

N-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 71795289) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
PubChem CID71795289
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
SMILESCC1CCCCC1NC(=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)
InChIKeyXFCNMPIYAOYDFM-UHFFFAOYSA-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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Related Compounds

1-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 71795320
3-cyclohexyl-N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-3-yl]piperidin-4-yl]propanamide
CID 124038389
N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
CID 164630971
N-[1-(1-Methyl-6-oxo-1,6-dihydropyridazin-3-YL)pyrrolidin-3-YL]cyclohexanecarboxamide
CID 124038334
2-Cyclohexyl-N-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-3-YL]piperidin-3-YL}acetamide
CID 124038467
1-(1-Methyl-6-oxo-1,6-dihydro-pyridazin-3-yl)-piperidine-4-carboxylic acid allyl-(2-amino-ethyl)-amide
CID 69228076
1-(1-Methyl-6-oxo-1,6-dihydro-pyridazin-3-yl)-piperidine-4-carboxylic acid (2-amino-ethyl)-amide hydrochloride
CID 86622553
N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 86622554
N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 90883841
(3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 121313994
(3R)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 121313998
2-(1-Methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 130465563

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide (CID 71795289) is N-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide is CC1CCCCC1NC(=O)C1CCN(c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of N-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is XFCNMPIYAOYDFM-UHFFFAOYSA-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).
What are the key properties of N-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide?
N-(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-(2-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71795289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).