N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

C27H33ClN4O2 — CID 20968221

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESO=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H33ClN4O2/c28-24-9-7-23(8-10-24)25-11-12-27(34)32(30-25)20-26(33)29-15-4-16-31-17-13-22(14-18-31)19-21-5-2-1-3-6-21/h1-3,5-10,22H,4,11-20H2,(H,29,33)
InChIKeyQPTXVZJLELZXHH-UHFFFAOYSA-N
MW481.04 g/mol
LogP4.13
Rot. Bonds9

About N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (PubChem CID 20968221) has the molecular formula C27H33ClN4O2 and a molecular weight of 481.04 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
PubChem CID20968221
Molecular FormulaC27H33ClN4O2
Molecular Weight481.04 g/mol
Exact Mass480.23
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESO=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H33ClN4O2/c28-24-9-7-23(8-10-24)25-11-12-27(34)32(30-25)20-26(33)29-15-4-16-31-17-13-22(14-18-31)19-21-5-2-1-3-6-21/h1-3,5-10,22H,4,11-20H2,(H,29,33)
InChIKeyQPTXVZJLELZXHH-UHFFFAOYSA-N
XLogP4.13
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.04
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 20968351
N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
CID 122188500
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 4280262
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 20968345
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-chlorophenyl)benzenesulfonamide
CID 162364662
3-[2-[3-(4-benzylpiperidin-1-yl)propylamino]-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid
CID 22431047
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(2-phenylethyl)propanamide
CID 6624469
2-(4-benzylpiperidin-1-yl)-1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 46031319
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968544
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 42851078
2-[(2Z)-2-benzylidene-3-oxo-1,4-benzothiazin-4-yl]-N-[3-(4-benzylpiperidin-1-yl)propyl]acetamide
CID 46372627

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (CID 20968221) is N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)NCCCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The InChIKey is QPTXVZJLELZXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O2/c28-24-9-7-23(8-10-24)25-11-12-27(34)32(30-25)20-26(33)29-15-4-16-31-17-13-22(14-18-31)19-21-5-2-1-3-6-21/h1-3,5-10,22H,4,11-20H2,(H,29,33).
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide has a molecular weight of 481.04 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is sourced from PubChem (CID 20968221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).