N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide

C20H24N4O3 — CID 72881305

IUPACN-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)c3ccnnc3)CC2)c1
InChIInChI=1S/C20H24N4O3/c1-27-18-4-2-3-17(13-18)23-19(25)6-5-15-8-11-24(12-9-15)20(26)16-7-10-21-22-14-16/h2-4,7,10,13-15H,5-6,8-9,11-12H2,1H3,(H,23,25)
InChIKeyYJTWWDHKIOPGHG-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.76
Rot. Bonds6

About N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide

N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 72881305) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID72881305
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)c3ccnnc3)CC2)c1
InChIInChI=1S/C20H24N4O3/c1-27-18-4-2-3-17(13-18)23-19(25)6-5-15-8-11-24(12-9-15)20(26)16-7-10-21-22-14-16/h2-4,7,10,13-15H,5-6,8-9,11-12H2,1H3,(H,23,25)
InChIKeyYJTWWDHKIOPGHG-UHFFFAOYSA-N
XLogP2.76
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
N-(3-methoxyphenyl)-3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 72883906
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25453412
N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246394
N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97283369
3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 29022201
3-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25375209
N-(3-methoxyphenyl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanamide
CID 42099100
N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 91903818
3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
CID 91913383
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 26405274
N-(3-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103248

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide (CID 72881305) is N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide is COc1cccc(NC(=O)CCC2CCN(C(=O)c3ccnnc3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is YJTWWDHKIOPGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-18-4-2-3-17(13-18)23-19(25)6-5-15-8-11-24(12-9-15)20(26)16-7-10-21-22-14-16/h2-4,7,10,13-15H,5-6,8-9,11-12H2,1H3,(H,23,25).
What are the key properties of N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide?
N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 368.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 72881305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).