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

C25H27ClN4O — CID 121071544

IUPAC1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1
InChIInChI=1S/C25H27ClN4O/c26-22-12-10-20(11-13-22)23-14-15-24(29-28-23)30-17-5-9-21(18-30)25(31)27-16-4-8-19-6-2-1-3-7-19/h1-3,6-7,10-15,21H,4-5,8-9,16-18H2,(H,27,31)
InChIKeyGWUGLWCRQXRTAA-UHFFFAOYSA-N
MW434.97 g/mol
LogP4.76
Rot. Bonds7

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

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 121071544) has the molecular formula C25H27ClN4O and a molecular weight of 434.97 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID121071544
Molecular FormulaC25H27ClN4O
Molecular Weight434.97 g/mol
Exact Mass434.19
IUPAC Name1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1
InChIInChI=1S/C25H27ClN4O/c26-22-12-10-20(11-13-22)23-14-15-24(29-28-23)30-17-5-9-21(18-30)25(31)27-16-4-8-19-6-2-1-3-7-19/h1-3,6-7,10-15,21H,4-5,8-9,16-18H2,(H,27,31)
InChIKeyGWUGLWCRQXRTAA-UHFFFAOYSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 54.76
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

(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128
(3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 95065158
N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071550
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351172
(3S)-1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 30866249
N-[3-(N-methylanilino)propyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025081
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070412
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
CID 30362227
(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 98746052
1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 42654286
N-(3-phenylpropyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide
CID 42653585

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide (CID 121071544) is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide is O=C(NCCCc1ccccc1)C1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1.
What is the InChIKey of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is GWUGLWCRQXRTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O/c26-22-12-10-20(11-13-22)23-14-15-24(29-28-23)30-17-5-9-21(18-30)25(31)27-16-4-8-19-6-2-1-3-7-19/h1-3,6-7,10-15,21H,4-5,8-9,16-18H2,(H,27,31).
What are the key properties of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide?
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 434.97 g/mol, XLogP of 4.76, 7 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-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 121071544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).