N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide

C22H30N4O2 — CID 3242957

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCC1CCCN(CCCNC(=O)CCn2nc(-c3ccccc3)ccc2=O)C1
InChIInChI=1S/C22H30N4O2/c1-18-7-5-14-25(17-18)15-6-13-23-21(27)12-16-26-22(28)11-10-20(24-26)19-8-3-2-4-9-19/h2-4,8-11,18H,5-7,12-17H2,1H3,(H,23,27)
InChIKeyWESUQFRMVHBUEB-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.54
Rot. Bonds8

About N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide

N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide (PubChem CID 3242957) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
PubChem CID3242957
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCC1CCCN(CCCNC(=O)CCn2nc(-c3ccccc3)ccc2=O)C1
InChIInChI=1S/C22H30N4O2/c1-18-7-5-14-25(17-18)15-6-13-23-21(27)12-16-26-22(28)11-10-20(24-26)19-8-3-2-4-9-19/h2-4,8-11,18H,5-7,12-17H2,1H3,(H,23,27)
InChIKeyWESUQFRMVHBUEB-UHFFFAOYSA-N
XLogP2.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 3617292
N-[3-(azepan-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 3240872
N-[2-(azepan-1-ium-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3432245
N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55717679
N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 46372473
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 92869637
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 20968372
3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 50836496
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 51373175
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
N-[2-(4-chlorophenyl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 5156985

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide (CID 3242957) is N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide is CC1CCCN(CCCNC(=O)CCn2nc(-c3ccccc3)ccc2=O)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The InChIKey is WESUQFRMVHBUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-18-7-5-14-25(17-18)15-6-13-23-21(27)12-16-26-22(28)11-10-20(24-26)19-8-3-2-4-9-19/h2-4,8-11,18H,5-7,12-17H2,1H3,(H,23,27).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide is sourced from PubChem (CID 3242957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).