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

C18H22N4O3 — CID 95115508

IUPAC(3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C18H22N4O3/c1-21-17(23)10-14(11-19-21)22-9-5-6-13(12-22)18(24)20-15-7-3-4-8-16(15)25-2/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyJETAAGOLGUTKSS-ZDUSSCGKSA-N
MW342.40 g/mol
LogP1.64
Rot. Bonds4

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

(3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 95115508) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
PubChem CID95115508
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C18H22N4O3/c1-21-17(23)10-14(11-19-21)22-9-5-6-13(12-22)18(24)20-15-7-3-4-8-16(15)25-2/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyJETAAGOLGUTKSS-ZDUSSCGKSA-N
XLogP1.64
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
(3S)-N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115313
(3S)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 95085737
(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53203964
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95115628
N-(2-ethoxyphenyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839394
(3R)-N-(4-methylcyclohexyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115576
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 95115690
(3R)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 95115555
(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115704

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 95115508) is (3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is COc1ccccc1NC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of (3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is JETAAGOLGUTKSS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21-17(23)10-14(11-19-21)22-9-5-6-13(12-22)18(24)20-15-7-3-4-8-16(15)25-2/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3,(H,20,24)/t13-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
(3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95115508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).