(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate

C20H24N4O4 — CID 10178059

IUPAC(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(COC(=O)N2CCC(CNC(=O)c3ccc(=O)[nH]n3)CC2)cc1
InChIInChI=1S/C20H24N4O4/c1-14-2-4-16(5-3-14)13-28-20(27)24-10-8-15(9-11-24)12-21-19(26)17-6-7-18(25)23-22-17/h2-7,15H,8-13H2,1H3,(H,21,26)(H,23,25)
InChIKeyPPDAYTDDYGIBNZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.86
Rot. Bonds5

About (4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate

(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 10178059) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
PubChem CID10178059
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(COC(=O)N2CCC(CNC(=O)c3ccc(=O)[nH]n3)CC2)cc1
InChIInChI=1S/C20H24N4O4/c1-14-2-4-16(5-3-14)13-28-20(27)24-10-8-15(9-11-24)12-21-19(26)17-6-7-18(25)23-22-17/h2-7,15H,8-13H2,1H3,(H,21,26)(H,23,25)
InChIKeyPPDAYTDDYGIBNZ-UHFFFAOYSA-N
XLogP1.86
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

(4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate
CID 58933569
(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate
CID 58933564
N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746157
(4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933760
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106121318
6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805411
(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933724
(4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933731
benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10132923
(4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 10134633
6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 38442945
benzyl 4-[[(6-chloropyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933687

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate (CID 10178059) is (4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate is Cc1ccc(COC(=O)N2CCC(CNC(=O)c3ccc(=O)[nH]n3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is PPDAYTDDYGIBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-14-2-4-16(5-3-14)13-28-20(27)24-10-8-15(9-11-24)12-21-19(26)17-6-7-18(25)23-22-17/h2-7,15H,8-13H2,1H3,(H,21,26)(H,23,25).
What are the key properties of (4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate?
(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10178059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).