N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

C21H28N4O3 — CID 53202165

IUPACN-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)Nc3cc(C)ccc3OC)CC2)cc1=O
InChIInChI=1S/C21H28N4O3/c1-4-9-25-20(26)13-17(14-22-25)24-10-7-16(8-11-24)21(27)23-18-12-15(2)5-6-19(18)28-3/h5-6,12-14,16H,4,7-11H2,1-3H3,(H,23,27)
InChIKeyQCZXJWRONRQABK-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.83
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202165) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202165
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)Nc3cc(C)ccc3OC)CC2)cc1=O
InChIInChI=1S/C21H28N4O3/c1-4-9-25-20(26)13-17(14-22-25)24-10-7-16(8-11-24)21(27)23-18-12-15(2)5-6-19(18)28-3/h5-6,12-14,16H,4,7-11H2,1-3H3,(H,23,27)
InChIKeyQCZXJWRONRQABK-UHFFFAOYSA-N
XLogP2.83
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10074286
5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10434440
5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2,6-dimethyl-2H-pyridazin-3-one
CID 10949698
5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-6-phenyl-2H-pyridazin-3-one
CID 44294569
N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 3999001
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 5344744
N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497512
5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2,6-dimethyl-2H-pyridazin-3-one
CID 11014848
5-Acetyl-4-amino-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6-phenylpyridazin-3-one
CID 44308167
6-{3-[4-(2-Methoxy-5-methyl-phenyl)-piperazin-1-yl]-propylamino}-1,3-dimethyl-1H-pyrimidine-2,4-dione
CID 44312563
N-(2-methoxy-5-methylphenyl)-1-(phenylacetyl)-4-piperidinecarboxamide
CID 1075531
N-(2-methoxy-5-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 5767395

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202165) is N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)Nc3cc(C)ccc3OC)CC2)cc1=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is QCZXJWRONRQABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-4-9-25-20(26)13-17(14-22-25)24-10-7-16(8-11-24)21(27)23-18-12-15(2)5-6-19(18)28-3/h5-6,12-14,16H,4,7-11H2,1-3H3,(H,23,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).