1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide

C31H31ClN4O — CID 30362227

IUPAC1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C31H31ClN4O/c32-27-13-11-25(12-14-27)29-15-16-30(35-34-29)36-21-18-26(19-22-36)31(37)33-20-17-28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-16,26,28H,17-22H2,(H,33,37)
InChIKeyCXVYNZJESSZECB-UHFFFAOYSA-N
MW511.07 g/mol
LogP6.35
Rot. Bonds8

About 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide (PubChem CID 30362227) has the molecular formula C31H31ClN4O and a molecular weight of 511.07 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
PubChem CID30362227
Molecular FormulaC31H31ClN4O
Molecular Weight511.07 g/mol
Exact Mass510.22
IUPAC Name1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C31H31ClN4O/c32-27-13-11-25(12-14-27)29-15-16-30(35-34-29)36-21-18-26(19-22-36)31(37)33-20-17-28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-16,26,28H,17-22H2,(H,33,37)
InChIKeyCXVYNZJESSZECB-UHFFFAOYSA-N
XLogP6.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.07
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 30361698
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 30362082
N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362689
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 121071544
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperidine-4-carboxamide
CID 121119423
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide
CID 30362233
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360826
N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 53025177
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90544006
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 121120549
N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360643
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 30362072

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide (CID 30362227) is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1.
What is the InChIKey of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide?
The InChIKey is CXVYNZJESSZECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClN4O/c32-27-13-11-25(12-14-27)29-15-16-30(35-34-29)36-21-18-26(19-22-36)31(37)33-20-17-28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-16,26,28H,17-22H2,(H,33,37).
What are the key properties of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide?
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide has a molecular weight of 511.07 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 30362227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).