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

C22H29FN4O — CID 53025319

IUPAC1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1
InChIInChI=1S/C22H29FN4O/c1-3-12-27(13-4-2)22(28)17-10-14-26(15-11-17)21-9-8-20(24-25-21)18-6-5-7-19(23)16-18/h5-9,16-17H,3-4,10-15H2,1-2H3
InChIKeyQAWMIPCXWLSZDI-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.15
Rot. Bonds7

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

1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide (PubChem CID 53025319) has the molecular formula C22H29FN4O and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide
PubChem CID53025319
Molecular FormulaC22H29FN4O
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1
InChIInChI=1S/C22H29FN4O/c1-3-12-27(13-4-2)22(28)17-10-14-26(15-11-17)21-9-8-20(24-25-21)18-6-5-7-19(23)16-18/h5-9,16-17H,3-4,10-15H2,1-2H3
InChIKeyQAWMIPCXWLSZDI-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
N-benzyl-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025374
N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 46001563
N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362794
[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46292464
N-(4-bromo-3-methylphenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025350
N-benzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-methylpiperidine-4-carboxamide
CID 30362833
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025322
N-butan-2-yl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025183
N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364578
N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-1-phenylmethanesulfonamide
CID 71793990
3-methoxy-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylbenzamide
CID 83281755

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide (CID 53025319) is 1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide is CCCN(CCC)C(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1.
What is the InChIKey of 1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide?
The InChIKey is QAWMIPCXWLSZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O/c1-3-12-27(13-4-2)22(28)17-10-14-26(15-11-17)21-9-8-20(24-25-21)18-6-5-7-19(23)16-18/h5-9,16-17H,3-4,10-15H2,1-2H3.
What are the key properties of 1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide?
1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide is sourced from PubChem (CID 53025319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).