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

C18H28N4O2 — CID 95115576

IUPAC(3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCC1CCC(NC(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)CC1
InChIInChI=1S/C18H28N4O2/c1-13-5-7-15(8-6-13)20-18(24)14-4-3-9-22(12-14)16-10-17(23)21(2)19-11-16/h10-11,13-15H,3-9,12H2,1-2H3,(H,20,24)/t13?,14-,15?/m1/s1
InChIKeySGSAYNVABRCKGS-SHARSMKWSA-N
MW332.45 g/mol
LogP1.69
Rot. Bonds3

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

(3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 95115576) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
PubChem CID95115576
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCC1CCC(NC(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)CC1
InChIInChI=1S/C18H28N4O2/c1-13-5-7-15(8-6-13)20-18(24)14-4-3-9-22(12-14)16-10-17(23)21(2)19-11-16/h10-11,13-15H,3-9,12H2,1-2H3,(H,20,24)/t13?,14-,15?/m1/s1
InChIKeySGSAYNVABRCKGS-SHARSMKWSA-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

N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203801
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 95115690
N-(4-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203894
N-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203904
N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203909
(3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115533
(3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115508
1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 53203951
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53203964
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 53203905
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95115628
(3R)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 95115689

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 95115576) is (3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is CC1CCC(NC(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)CC1.
What is the InChIKey of (3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is SGSAYNVABRCKGS-SHARSMKWSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-5-7-15(8-6-13)20-18(24)14-4-3-9-22(12-14)16-10-17(23)21(2)19-11-16/h10-11,13-15H,3-9,12H2,1-2H3,(H,20,24)/t13?,14-,15?/m1/s1.
What are the key properties of (3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
(3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-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 (3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95115576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).