N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

C22H29N5O2 — CID 50785732

IUPACN-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(c3ccc(N4CCOCC4)nn3)C2)cc1
InChIInChI=1S/C22H29N5O2/c1-17-4-6-18(7-5-17)15-23-22(28)19-3-2-10-27(16-19)21-9-8-20(24-25-21)26-11-13-29-14-12-26/h4-9,19H,2-3,10-16H2,1H3,(H,23,28)
InChIKeyPFYAMBGTAWVTCO-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.15
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 50785732) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID50785732
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(c3ccc(N4CCOCC4)nn3)C2)cc1
InChIInChI=1S/C22H29N5O2/c1-17-4-6-18(7-5-17)15-23-22(28)19-3-2-10-27(16-19)21-9-8-20(24-25-21)26-11-13-29-14-12-26/h4-9,19H,2-3,10-16H2,1H3,(H,23,28)
InChIKeyPFYAMBGTAWVTCO-UHFFFAOYSA-N
XLogP2.15
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 92889627
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53004882
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001
N-(furan-2-ylmethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 46329045
N-[(4-fluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118477
N-[(4-methylphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071012
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 93055758
1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 121118591
N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71701098
N-(1,3-benzodioxol-5-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118410
1-(6-morpholin-4-ylpyridazin-3-yl)-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46329050
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(4-iodophenyl)methyl]piperidine-3-carboxamide
CID 90514647

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 50785732) is N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(c3ccc(N4CCOCC4)nn3)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is PFYAMBGTAWVTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-17-4-6-18(7-5-17)15-23-22(28)19-3-2-10-27(16-19)21-9-8-20(24-25-21)26-11-13-29-14-12-26/h4-9,19H,2-3,10-16H2,1H3,(H,23,28).
What are the key properties of N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50785732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).