N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

C30H29FN4O — CID 30362794

IUPACN,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H29FN4O/c31-27-13-11-25(12-14-27)28-15-16-29(33-32-28)34-19-17-26(18-20-34)30(36)35(21-23-7-3-1-4-8-23)22-24-9-5-2-6-10-24/h1-16,26H,17-22H2
InChIKeyAYINXUIGEXNABA-UHFFFAOYSA-N
MW480.59 g/mol
LogP5.73
Rot. Bonds7

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

N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30362794) has the molecular formula C30H29FN4O and a molecular weight of 480.59 g/mol. Its IUPAC name is N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30362794
Molecular FormulaC30H29FN4O
Molecular Weight480.59 g/mol
Exact Mass480.23
IUPAC NameN,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H29FN4O/c31-27-13-11-25(12-14-27)28-15-16-29(33-32-28)34-19-17-26(18-20-34)30(36)35(21-23-7-3-1-4-8-23)22-24-9-5-2-6-10-24/h1-16,26H,17-22H2
InChIKeyAYINXUIGEXNABA-UHFFFAOYSA-N
XLogP5.73
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-methylpiperidine-4-carboxamide
CID 30362833
N-benzyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46147660
1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide
CID 53025319
N-[(4-chlorophenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362689
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
N-benzyl-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025374
N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide
CID 42832359
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
N-[(4-fluorophenyl)methyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364948
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691180
N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 53025177

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30362794) is N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is O=C(C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is AYINXUIGEXNABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN4O/c31-27-13-11-25(12-14-27)28-15-16-29(33-32-28)34-19-17-26(18-20-34)30(36)35(21-23-7-3-1-4-8-23)22-24-9-5-2-6-10-24/h1-16,26H,17-22H2.
What are the key properties of N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30362794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).