N-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide

C19H24N4O4 — CID 91917370

IUPACN-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CC2CCCN(c3cn[nH]c(=O)c3)C2)c1
InChIInChI=1S/C19H24N4O4/c1-26-15-5-6-17(27-2)16(10-15)21-18(24)8-13-4-3-7-23(12-13)14-9-19(25)22-20-11-14/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLPWBRHALKGGKGK-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.03
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide (PubChem CID 91917370) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
PubChem CID91917370
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CC2CCCN(c3cn[nH]c(=O)c3)C2)c1
InChIInChI=1S/C19H24N4O4/c1-26-15-5-6-17(27-2)16(10-15)21-18(24)8-13-4-3-7-23(12-13)14-9-19(25)22-20-11-14/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLPWBRHALKGGKGK-UHFFFAOYSA-N
XLogP2.03
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-Diethoxyphenyl)-1-{7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL}piperidine-4-carboxamide
CID 3236007
N-(2,5-Dimethoxyphenyl)-4-({[2-(4-methyl-1-piperidinyl)-3,4-dioxo-1-cyclobuten-1-YL]amino}methyl)cyclohexanecarboxamide
CID 5309259
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 649004
N-(3,5-Dimethoxyphenyl)-2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]acetamide
CID 91907053
N-(2,5-dimethoxyphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 651928
N-(2,5-dimethoxyphenyl)-4-{[(2-morpholin-4-yl-3,4-dioxocyclobut-1-en-1-yl)amino]methyl}cyclohexanecarboxamide
CID 16193759
N-(2-methoxy-5-methylphenyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
CID 53202165
N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-3-carboxamide
CID 53203913
2-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-3-YL}-N-(2-methoxyphenyl)acetamide
CID 91907111
2-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-3-YL}-N-(2-ethoxyphenyl)acetamide
CID 91907119
2-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-3-YL}-N-(4-methoxyphenyl)acetamide
CID 91917528
Cambridge id 6927512
CID 800485

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide (CID 91917370) is N-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide is COc1ccc(OC)c(NC(=O)CC2CCCN(c3cn[nH]c(=O)c3)C2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is LPWBRHALKGGKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-26-15-5-6-17(27-2)16(10-15)21-18(24)8-13-4-3-7-23(12-13)14-9-19(25)22-20-11-14/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91917370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).